CID 135526603

10357-91-2

Structural Information

Molecular Formula
C6H5NO4
SMILES
C1=CC(=O)NC(=C1C(=O)O)O
InChI
InChI=1S/C6H5NO4/c8-4-2-1-3(6(10)11)5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)
InChIKey
IGCZQNUHGOYVJI-UHFFFAOYSA-N
Compound name
2-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

239
Patents

155.02185 Da
Monoisotopic Mass

-0.1
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

No literature data available for this compound.

Patent stripe

patents stripe