2-氨基-4-甲基吡啶(695-34-1)質(zhì)譜(MS)
InChI:InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
InChIKey: ORLGLBZRQYOWNA-UHFFFAOYSA-N
Smiles:C1(N)=NC=CC(C)=C1
-
Mass
MS-NW-1418
4-methyl-2-pyridylamine
C6H8N2 (Mass of molecular ion: 108)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
26.0 1.0
27.0 5.1
28.0 8.3
37.0 1.8
38.0 4.2
39.0 11.2
40.0 3.4
41.0 9.8
42.0 2.7
43.0 3.8
50.0 2.9
51.0 4.2
52.0 4.5
53.0 11.5
54.0 3.0
63.0 1.9
64.0 2.1
65.0 3.8
66.0 6.9
67.0 1.7
68.0 6.4
78.0 1.0
79.0 1.2
80.0 60.0
81.0 29.6
82.0 1.8
91.0 1.4
93.0 3.3
107.0 3.2
108.0 100.0
109.0 7.5
parameter in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
300 MHz |
| C6 H8 N2
|
20 % in CDCl3
|
| 2-amino-4-methylpyridine
|
 |
Parameter ppm Hz
D(A) 7.81
D(B) 6.37
D(C) 6.20
D(D) 2.16
J(A,B) 5.2
J(A,C) 0.6
J(A,D) 0.2
J(B,C) 1.5
J(B,D) 0.6
J(C,D) 0.7
D(E) 4.68
BELL,C.L. ET AL. J.HETEROCYCL.CHEM. 2, 420 (1965)
J(A,D):LESS THAN 0.2HZ.
|
Hz ppm Int.
2345.69 7.819 160
2340.49 7.802 164
1914.61 6.382 73
1913.98 6.380 87
1913.20 6.377 91
1909.41 6.365 73
1908.78 6.363 86
1907.99 6.360 88
1860.75 6.202 160
1860.01 6.200 177
1859.33 6.198 154
1403.97 4.680 1000
648.02 2.160 903
-
| 1H NMR |
89.56 MHz |
| C6 H8 N2
|
0.048 g : 0.5 ml CDCl3
|
| 4-methyl-2-pyridylamine
|
|
Assign. Shift(ppm)
A 7.916
B 6.452
C 6.291
D 4.6
E 2.195
|
Hz ppm Int.
711.88 7.949 136
711.44 7.944 130
706.56 7.890 147
581.44 6.493 95
580.88 6.486 106
580.00 6.477 124
579.44 6.470 109
576.19 6.434 89
575.63 6.428 99
574.75 6.418 119
574.19 6.412 106
564.88 6.308 136
564.13 6.299 222
563.38 6.291 223
562.63 6.283 195
561.88 6.274 112
410.75 4.587 56
199.56 2.229 35
198.94 2.222 39
196.63 2.196 1000