CID 440752

6-hydroxykynurenic acid

Structural Information

Molecular Formula
C10H7NO4
SMILES
C1=CC2=C(C=C1O)C(=O)C=C(N2)C(=O)O
InChI
InChI=1S/C10H7NO4/c12-5-1-2-7-6(3-5)9(13)4-8(11-7)10(14)15/h1-4,12H,(H,11,13)(H,14,15)
InChIKey
CQUUHDQRJWXDPY-UHFFFAOYSA-N
Compound name
6-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

218
Patents

205.0375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.044776 138.7
[M+Na]+ 228.026718 148.6
[M-H]- 204.030224 138.9
[M+NH4]+ 223.071323 155.6
[M+K]+ 244.000658 144.5
[M+H-H2O]+ 188.034760 132.9
[M+HCOO]- 250.035701 157.1
[M+CH3COO]- 264.051351 178.3
[M+Na-2H]- 226.012166 145.0
[M]+ 205.03695142 137.7
[M]- 205.03804858 137.7
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