57297-29-7

環(huán)丙甲脒鹽酸鹽(57297-29-7)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):環(huán)丙甲脒鹽酸鹽

CAS:57297-29-7

分子式:C4H9ClN2

分子量: 120.58

InChI:InChI=1S/C4H8N2.ClH/c5-4(6)3-1-2-3;/h3H,1-2H2,(H3,5,6);1H

InChIKey: JRYOZJIRAVZGMV-UHFFFAOYSA-N

Smiles:C1(C(N)=N)CC1.[H]Cl

Mass

MS-IW-2759          
cyclopropanecarboxamidine hydrochloride
C4H8N2 HCl          (Mass of molecular ion:     84)

   Source Temperature: 160 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      15.0       2.1
      17.0       1.8
      18.0      21.8
      26.0       3.0
      27.0       7.9
      28.0      24.3
      29.0       5.2
      30.0       9.7
      31.0       1.2
      35.0      12.3
      36.0      85.9
      37.0       6.4
      38.0      35.6
      39.0      42.7
      40.0       9.7
      41.0      69.7
      42.0      18.2
      43.0      94.3
      44.0      13.0
      51.0       1.6
      52.0       5.7
      53.0       1.5
      54.0      13.0
      55.0       4.5
      56.0      21.5
      57.0       2.6
      58.0       4.4
      66.0      12.4
      67.0      96.5
      68.0      38.0
      69.0       6.0
      82.0       2.3
      83.0      74.6
      84.0     100.0
      85.0       6.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₈ N₂	0.038 g : 0.5 ml DMSO-d₆
cyclopropanecarboxamidine hydrochloride

    Assign.     Shift(ppm)

      A     *1      8.92
      B     *1      8.74
      C             1.882
      D     *2      1.15
      E     *2      1.11

     Hz     ppm     Int.

   3564.09   8.919    789
   3494.75   8.745    792
    766.24   1.918     75
    760.99   1.905    166
    758.06   1.897    187
    753.17   1.885    334
    748.05   1.872    213
    744.75   1.864    198
    739.62   1.851     98
    472.17   1.182    155
    466.06   1.167    551
    463.13   1.159    830
    460.82   1.154   1000
    458.13   1.147    777
    455.20   1.139    637
    452.03   1.132    556
    450.93   1.129    524
    449.10   1.124    812
    446.41   1.118    535
    443.97   1.111    744
    440.80   1.103    796
    437.99   1.096    584
    432.13   1.082    217

in DMSO-d6