CID 12405571

2-(quinolin-8-yl)acetonitrile

Structural Information

Molecular Formula

C₁₁H₈N₂

SMILES

C1=CC2=C(C(=C1)CC#N)N=CC=C2

InChI

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

InChIKey

FTWLTAJAZARGAF-UHFFFAOYSA-N

Compound name

2-quinolin-8-ylacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.06874 Da
Monoisotopic Mass: 2.7
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]+	169.07602	135.9
[M+Na]+	191.05796	147.1
[M-H]-	167.06146	138.2
[M+NH4]+	186.10256	154.0
[M+K]+	207.03190	141.5
[M+H-H2O]+	151.06600	122.6
[M+HCOO]-	213.06694	154.8
[M+CH3COO]-	227.08259	148.0
[M+Na-2H]-	189.04341	144.7
[M]+	168.06819	130.9
[M]-	168.06929	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe