CID 474189

3,5-dihydroxypyridine-4-carboxylic acid

Structural Information

Molecular Formula
C6H5NO4
SMILES
C1=C(C(=C(C=N1)O)C(=O)O)O
InChI
InChI=1S/C6H5NO4/c8-3-1-7-2-4(9)5(3)6(10)11/h1-2,8-9H,(H,10,11)
InChIKey
PJXTUHUVFKNZEM-UHFFFAOYSA-N
Compound name
3,5-dihydroxypyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

155.02185 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02913 127.0
[M+Na]+ 178.01107 136.0
[M-H]- 154.01457 126.1
[M+NH4]+ 173.05567 144.7
[M+K]+ 193.98501 134.1
[M+H-H2O]+ 138.01911 121.6
[M+HCOO]- 200.02005 146.8
[M+CH3COO]- 214.03570 167.9
[M+Na-2H]- 175.99652 132.6
[M]+ 155.02130 125.9
[M]- 155.02240 125.9
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

No patent data available for this compound.