CID 193479

119736-22-0

Structural Information

Molecular Formula
C6H5NO4
SMILES
C1=CN(C(=O)C=C1C(=O)O)O
InChI
InChI=1S/C6H5NO4/c8-5-3-4(6(9)10)1-2-7(5)11/h1-3,11H,(H,9,10)
InChIKey
JFXSGPUFCQCCQM-UHFFFAOYSA-N
Compound name
1-hydroxy-2-oxopyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

245
Patents

155.02185 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02913 125.0
[M+Na]+ 178.01107 134.9
[M-H]- 154.01457 125.7
[M+NH4]+ 173.05567 143.6
[M+K]+ 193.98501 133.2
[M+H-H2O]+ 138.01911 119.5
[M+HCOO]- 200.02005 146.6
[M+CH3COO]- 214.03570 169.5
[M+Na-2H]- 175.99652 131.3
[M]+ 155.02130 125.1
[M]- 155.02240 125.1
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