CID 71296385

1375069-41-2

Structural Information

Molecular Formula

C₉H₆N₂O₃

SMILES

C1=CC2=C(C=C1C(=O)O)NC(=O)C=N2

InChI

InChI=1S/C9H6N2O3/c12-8-4-10-6-2-1-5(9(13)14)3-7(6)11-8/h1-4H,(H,11,12)(H,13,14)

InChIKey

LGEUOBVKRJATPX-UHFFFAOYSA-N

Compound name

3-oxo-4H-quinoxaline-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 190.03784 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.04512	136.9
[M+Na]+	213.02706	150.4
[M+NH4]+	208.07166	143.6
[M+K]+	229.00100	145.4
[M-H]-	189.03056	136.6
[M+Na-2H]-	211.01251	142.6
[M]+	190.03729	138.5
[M]-	190.03839	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe