2-Cyanoacetamide(107-91-5) MS
Product Name2-Cyanoacetamide
CAS107-91-5
Molecular FormulaC3H4N2O
Molecular Weight84.08
InChIInChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)
InChIKey DGJMPUGMZIKDRO-UHFFFAOYSA-N
SmilesC(N)(=O)CC#N
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MassMS-NW-1842 cyanoacetamide C3H4N2O (Mass of molecular ion: 84)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
13.0 1.0 14.0 2.3 16.0 4.7 17.0 1.2 26.0 1.1 27.0 2.4 28.0 5.9 29.0 1.7 38.0 5.6 39.0 8.5 40.0 22.9 41.0 57.3 42.0 3.6 43.0 4.2 44.0 100.0 45.0 1.3 67.0 2.7 68.0 3.2 84.0 3.7
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C3 H4 N2 O 0.039 g : 0.5 ml DMSO-d6 cyanoacetamide 
Assign. Shift(ppm)
A *1 7.64 B *1 7.32 C 3.579
Hz ppm Int.683.63 7.634 30 655.75 7.322 30 320.63 3.581 1000
in D2O
KBr disc
nujol mull
