CID 3008189

5-(cyanomethyl)-1h-imidazole-4-carboxamide

Structural Information

Molecular Formula
C6H6N4O
SMILES
C1=NC(=C(N1)CC#N)C(=O)N
InChI
InChI=1S/C6H6N4O/c7-2-1-4-5(6(8)11)10-3-9-4/h3H,1H2,(H2,8,11)(H,9,10)
InChIKey
ARHFLUAFWUJNLP-UHFFFAOYSA-N
Compound name
5-(cyanomethyl)-1H-imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

150.05415 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06143 130.7
[M+Na]+ 173.04337 139.9
[M-H]- 149.04687 129.5
[M+NH4]+ 168.08797 147.3
[M+K]+ 189.01731 137.8
[M+H-H2O]+ 133.05141 116.5
[M+HCOO]- 195.05235 148.8
[M+CH3COO]- 209.06800 186.7
[M+Na-2H]- 171.02882 134.5
[M]+ 150.05360 122.8
[M]- 150.05470 122.8
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

No patent data available for this compound.