CID 23273535

Quinoxaline-6-carbonitrile

Structural Information

Molecular Formula

C₉H₅N₃

SMILES

C1=CC2=NC=CN=C2C=C1C#N

InChI

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

InChIKey

IFIJAECRUMYOAH-UHFFFAOYSA-N

Compound name

quinoxaline-6-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 155.04834 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]+	156.05562	135.7
[M+Na]+	178.03756	150.3
[M+NH4]+	173.08216	141.5
[M+K]+	194.01150	139.6
[M-H]-	154.04106	130.9
[M+Na-2H]-	176.02301	141.4
[M]+	155.04779	135.7
[M]-	155.04889	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe