CID 11788326

4-cyano-1h-imidazole-5-carboxylic acid

Structural Information

Molecular Formula
C5H3N3O2
SMILES
C1=NC(=C(N1)C(=O)O)C#N
InChI
InChI=1S/C5H3N3O2/c6-1-3-4(5(9)10)8-2-7-3/h2H,(H,7,8)(H,9,10)
InChIKey
QGERPIOAEFLQSN-UHFFFAOYSA-N
Compound name
4-cyano-1H-imidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

137.02252 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.02980 125.4
[M+Na]+ 160.01174 135.5
[M-H]- 136.01524 123.7
[M+NH4]+ 155.05634 142.4
[M+K]+ 175.98568 133.5
[M+H-H2O]+ 120.01978 112.0
[M+HCOO]- 182.02072 142.4
[M+CH3COO]- 196.03637 179.7
[M+Na-2H]- 157.99719 129.9
[M]+ 137.02197 118.5
[M]- 137.02307 118.5
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

patents stripe