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]+ 168.029126 129.3
[M+Na]+ 190.011068 138.7
[M-H]- 166.014574 129.7
[M+NH4]+ 185.055673 147.2
[M+K]+ 205.985008 136.7
[M+H-H2O]+ 150.019110 123.6
[M+HCOO]- 212.020051 150.5
[M+CH3COO]- 226.035701 172.4
[M+Na-2H]- 187.996516 135.0
[M]+ 167.02130142 129.7
[M]- 167.02239858 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.