Product NameO-PHOSPHORYLETHANOLAMINE
CAS1071-23-4
Molecular FormulaC2H8NO4P
Molecular Weight141.06
InChIInChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
InChIKey SUHOOTKUPISOBE-UHFFFAOYSA-N
SmilesC(OP(O)(O)=O)CN
Mass
MS-NW-5440 2-aminoethyl dihydrogen phosphate C2H8NO4P (Mass of molecular ion: 141)
Source Temperature: 210 °C Sample Temperature: 200 °C Direct, 75 eV
15.0 4.5 16.0 1.1 17.0 1.6 18.0 3.5 26.0 1.0 27.0 3.2 28.0 14.9 29.0 4.0 30.0 100.0 31.0 4.4 40.0 1.3 41.0 3.0 42.0 9.1 43.0 3.5 60.0 1.4 61.0 7.7 81.0 3.3 98.0 2.0
90 MHz in D2O
1H NMR | 89.56 MHz |
C2 H8 N O4 P | 0.046 g : 0.5 ml D2O |
2-aminoethyl dihydrogen phosphate |
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Assign. Shift(ppm) |
Hz ppm Int.
374.69 4.184 439 369.88 4.130 656 368.31 4.113 725 364.44 4.070 847 358.19 4.000 561 297.81 3.326 852 291.94 3.260 1000 287.69 3.213 670
in D2O
KBr disc
nujol mull
O-PHOSPHORYLETHANOLAMINE(1071-23-4) MS Atlas of Related Products