CID 270862

4-cyano-1h-imidazole-5-carboxamide

Structural Information

Molecular Formula
C5H4N4O
SMILES
C1=NC(=C(N1)C(=O)N)C#N
InChI
InChI=1S/C5H4N4O/c6-1-3-4(5(7)10)9-2-8-3/h2H,(H2,7,10)(H,8,9)
InChIKey
QBKYWNHLILCGEI-UHFFFAOYSA-N
Compound name
4-cyano-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

136.03851 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04579 126.8
[M+Na]+ 159.02773 136.5
[M-H]- 135.03123 125.8
[M+NH4]+ 154.07233 143.9
[M+K]+ 175.00167 134.6
[M+H-H2O]+ 119.03577 112.9
[M+HCOO]- 181.03671 145.2
[M+CH3COO]- 195.05236 184.0
[M+Na-2H]- 157.01318 131.1
[M]+ 136.03796 118.6
[M]- 136.03906 118.6
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