CID 2049053

3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1C(=O)NC2=C(N1)C=CC(=C2)C(=O)O
InChI
InChI=1S/C9H8N2O3/c12-8-4-10-6-2-1-5(9(13)14)3-7(6)11-8/h1-3,10H,4H2,(H,11,12)(H,13,14)
InChIKey
KNJZSRZUSLBDSJ-UHFFFAOYSA-N
Compound name
3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

192.0535 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 139.2
[M+Na]+ 215.04272 146.7
[M-H]- 191.04622 136.9
[M+NH4]+ 210.08732 154.8
[M+K]+ 231.01666 142.4
[M+H-H2O]+ 175.05076 132.7
[M+HCOO]- 237.05170 153.6
[M+CH3COO]- 251.06735 175.2
[M+Na-2H]- 213.02817 144.7
[M]+ 192.05295 133.6
[M]- 192.05405 133.6
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

patents stripe