CID 96695

2-quinoxalinecarboxylic acid

Structural Information

Molecular Formula

C₉H₆N₂O₂

SMILES

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

InChI

InChI=1S/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)

InChIKey

UPUZGXILYFKSGE-UHFFFAOYSA-N

Compound name

quinoxaline-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 54
References: 2289
Patents: 174.04292 Da
Monoisotopic Mass: 1.6
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]+	175.050196	133.0
[M+Na]+	197.032138	142.4
[M-H]-	173.035644	133.9
[M+NH4]+	192.076743	150.9
[M+K]+	213.006078	139.4
[M+H-H2O]+	157.040180	125.9
[M+HCOO]-	219.041121	153.0
[M+CH3COO]-	233.056771	176.8
[M+Na-2H]-	195.017586	142.3
[M]+	174.04237142	132.8
[M]-	174.04346858	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe