CID 7425

Citrazinic acid

Structural Information

Molecular Formula
C6H5NO4
SMILES
C1=C(C=C(NC1=O)O)C(=O)O
InChI
InChI=1S/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)
InChIKey
CSGQJHQYWJLPKY-UHFFFAOYSA-N
Compound name
2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

2429
Patents

155.02185 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02913 126.1
[M+Na]+ 178.01107 135.5
[M-H]- 154.01457 125.3
[M+NH4]+ 173.05567 143.9
[M+K]+ 193.98501 132.8
[M+H-H2O]+ 138.01911 120.8
[M+HCOO]- 200.02005 146.1
[M+CH3COO]- 214.03570 167.1
[M+Na-2H]- 175.99652 131.8
[M]+ 155.02130 124.3
[M]- 155.02240 124.3
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