CID 72218148

1289216-76-7

Structural Information

Molecular Formula
C7H5NO4
SMILES
C1=C(C=NC(=C1O)C=O)C(=O)O
InChI
InChI=1S/C7H5NO4/c9-3-5-6(10)1-4(2-8-5)7(11)12/h1-3,10H,(H,11,12)
InChIKey
AQXCAJBSQFAPCU-UHFFFAOYSA-N
Compound name
6-formyl-5-hydroxypyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.02185 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02913 129.3
[M+Na]+ 190.01107 138.7
[M-H]- 166.01457 129.7
[M+NH4]+ 185.05567 147.2
[M+K]+ 205.98501 136.7
[M+H-H2O]+ 150.01911 123.6
[M+HCOO]- 212.02005 150.5
[M+CH3COO]- 226.03570 172.4
[M+Na-2H]- 187.99652 135.0
[M]+ 167.02130 129.7
[M]- 167.02240 129.7
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.