CID 54676839

4,6-dihydroxynicotinic acid

Structural Information

Molecular Formula
C6H5NO4
SMILES
C1=C(C(=CNC1=O)C(=O)O)O
InChI
InChI=1S/C6H5NO4/c8-4-1-5(9)7-2-3(4)6(10)11/h1-2H,(H,10,11)(H2,7,8,9)
InChIKey
QJLHSJRQOWSNMD-UHFFFAOYSA-N
Compound name
4-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
Patents

155.02185 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02913 127.8
[M+Na]+ 178.01107 139.1
[M+NH4]+ 173.05567 133.6
[M+K]+ 193.98501 136.0
[M-H]- 154.01457 126.2
[M+Na-2H]- 175.99652 132.1
[M]+ 155.02130 128.5
[M]- 155.02240 128.5
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