CID 290794

2-quinoxalineacetonitrile

Structural Information

Molecular Formula

C₁₀H₇N₃

SMILES

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

InChI

InChI=1S/C10H7N3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,7H,5H2

InChIKey

IYSRPUZNTHPOHK-UHFFFAOYSA-N

Compound name

2-quinoxalin-2-ylacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 262
Patents: 169.064 Da
Monoisotopic Mass: 0.9
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]+	170.071276	134.2
[M+Na]+	192.053218	145.4
[M-H]-	168.056724	135.0
[M+NH4]+	187.097823	150.9
[M+K]+	208.027158	140.3
[M+H-H2O]+	152.061260	119.9
[M+HCOO]-	214.062201	152.0
[M+CH3COO]-	228.077851	145.9
[M+Na-2H]-	190.038666	143.6
[M]+	169.06345142	129.2
[M]-	169.06454858	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe