CID 674813

Quinoxaline-6-carboxylic acid

Structural Information

Molecular Formula

C₉H₆N₂O₂

SMILES

C1=CC2=NC=CN=C2C=C1C(=O)O

InChI

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

InChIKey

JGQDBVXRYDEWGM-UHFFFAOYSA-N

Compound name

quinoxaline-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 739
Patents: 174.04292 Da
Monoisotopic Mass: 1.0
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]+	175.05020	133.7
[M+Na]+	197.03214	147.9
[M+NH4]+	192.07674	141.7
[M+K]+	213.00608	142.0
[M-H]-	173.03564	134.7
[M+Na-2H]-	195.01759	141.0
[M]+	174.04237	135.9
[M]-	174.04347	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe