CID 593212

Quinoxaline-2-carbonitrile

Structural Information

Molecular Formula

C₉H₅N₃

SMILES

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

InChI

InChI=1S/C9H5N3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,6H

InChIKey

IVYZWJPQNNZOHV-UHFFFAOYSA-N

Compound name

quinoxaline-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 214
Patents: 155.04834 Da
Monoisotopic Mass: 1.3
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]+	156.05562	130.2
[M+Na]+	178.03756	141.8
[M-H]-	154.04106	131.1
[M+NH4]+	173.08216	147.4
[M+K]+	194.01150	136.9
[M+H-H2O]+	138.04560	116.1
[M+HCOO]-	200.04654	148.3
[M+CH3COO]-	214.06219	142.3
[M+Na-2H]-	176.02301	140.1
[M]+	155.04779	124.9
[M]-	155.04889	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe