CID 264302

2-(quinolin-2-yl)acetonitrile

Structural Information

Molecular Formula

C₁₁H₈N₂

SMILES

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

InChI

InChI=1S/C11H8N2/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7H2

InChIKey

UNFOICLZNBECOR-UHFFFAOYSA-N

Compound name

2-quinolin-2-ylacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 219
Patents: 168.06874 Da
Monoisotopic Mass: 1.9
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]+	169.076016	135.9
[M+Na]+	191.057958	147.1
[M-H]-	167.061464	138.2
[M+NH4]+	186.102563	154.0
[M+K]+	207.031898	141.5
[M+H-H2O]+	151.066000	122.6
[M+HCOO]-	213.066941	154.8
[M+CH3COO]-	227.082591	148.0
[M+Na-2H]-	189.043406	144.7
[M]+	168.06819142	130.9
[M]-	168.06928858	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe