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

literature stripe

Patent stripe

patents stripe