CID 33701096

Lithium(1+) 2-(quinoxalin-2-yl)acetate

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

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

InChI

InChI=1S/C10H8N2O2/c13-10(14)5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,6H,5H2,(H,13,14)

InChIKey

PNKNUVIFAWXTPU-UHFFFAOYSA-N

Compound name

2-quinoxalin-2-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 188.05858 Da
Monoisotopic Mass: 0.7
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]+	189.065856	137.7
[M+Na]+	211.047798	146.6
[M-H]-	187.051304	138.4
[M+NH4]+	206.092403	154.9
[M+K]+	227.021738	143.3
[M+H-H2O]+	171.055840	130.3
[M+HCOO]-	233.056781	157.3
[M+CH3COO]-	247.072431	179.8
[M+Na-2H]-	209.033246	146.4
[M]+	188.05803142	137.8
[M]-	188.05912858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe