CID 317904

1204-74-6

Structural Information

Molecular Formula

C₉H₈N₂O₃

SMILES

C1=CC=C2C(=C1)NC(C(=O)N2)C(=O)O

InChI

InChI=1S/C9H8N2O3/c12-8-7(9(13)14)10-5-3-1-2-4-6(5)11-8/h1-4,7,10H,(H,11,12)(H,13,14)

InChIKey

QUUDQDSWVWOIPR-UHFFFAOYSA-N

Compound name

3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 192.0535 Da
Monoisotopic Mass: 1.2
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]+	193.06078	139.8
[M+Na]+	215.04272	150.8
[M+NH4]+	210.08732	146.1
[M+K]+	231.01666	146.6
[M-H]-	191.04622	138.6
[M+Na-2H]-	213.02817	143.1
[M]+	192.05295	140.6
[M]-	192.05405	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe