CID 7898

2-cyanoacetamide

Structural Information

Molecular Formula
C3H4N2O
SMILES
C(C#N)C(=O)N
InChI
InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)
InChIKey
DGJMPUGMZIKDRO-UHFFFAOYSA-N
Compound name
2-cyanoacetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

80
References

13106
Patents

84.032364 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.039640 114.5
[M+Na]+ 107.021582 123.7
[M-H]- 83.025088 115.3
[M+NH4]+ 102.066187 135.4
[M+K]+ 122.995522 124.1
[M+H-H2O]+ 67.029624 103.6
[M+HCOO]- 129.030565 135.4
[M+CH3COO]- 143.046215 179.2
[M+Na-2H]- 105.007030 120.7
[M]+ 84.03181542 108.1
[M]- 84.03291258 108.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe