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

13078
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]+ 107.02158 123.7
[M-H]- 83.025088 115.3
[M+NH4]+ 102.06619 135.4
[M+K]+ 122.99552 124.1
[M+H-H2O]+ 67.029624 103.6
[M+HCOO]- 129.03056 135.4
[M+CH3COO]- 143.04622 179.2
[M+Na-2H]- 105.00703 120.7
[M]+ 84.031815 108.1
[M]- 84.032913 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.