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
5
Annotation Hits

80
References

10028
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 116.8
[M+Na]+ 107.02158 126.0
[M+NH4]+ 102.06619 121.2
[M+K]+ 122.99552 118.9
[M-H]- 83.025088 109.4
[M+Na-2H]- 105.00703 118.5
[M]+ 84.031815 114.9
[M]- 84.032913 114.9
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