CID 71001

3-hydroxy-2-quinoxalinecarboxylic acid

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC=C2C(=C1)NC(=O)C(=N2)C(=O)O
InChI
InChI=1S/C9H6N2O3/c12-8-7(9(13)14)10-5-3-1-2-4-6(5)11-8/h1-4H,(H,11,12)(H,13,14)
InChIKey
NMOWGWOAPRKWIR-UHFFFAOYSA-N
Compound name
3-oxo-4H-quinoxaline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

528
Patents

190.03784 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04512 135.9
[M+Na]+ 213.02706 145.9
[M-H]- 189.03056 135.8
[M+NH4]+ 208.07166 152.5
[M+K]+ 229.00100 142.0
[M+H-H2O]+ 173.03510 129.1
[M+HCOO]- 235.03604 154.7
[M+CH3COO]- 249.05169 176.9
[M+Na-2H]- 211.01251 143.9
[M]+ 190.03729 135.0
[M]- 190.03839 135.0
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