CID 75959

2-pyridylacetonitrile

Structural Information

Molecular Formula

C₇H₆N₂

SMILES

C1=CC=NC(=C1)CC#N

InChI

InChI=1S/C7H6N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4H2

InChIKey

UKVQBONVSSLJBB-UHFFFAOYSA-N

Compound name

2-pyridin-2-ylacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2546
Patents: 118.0531 Da
Monoisotopic Mass: 0.6
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]+	119.06038	125.4
[M+Na]+	141.04232	138.5
[M+NH4]+	136.08692	131.1
[M+K]+	157.01626	128.5
[M-H]-	117.04582	120.4
[M+Na-2H]-	139.02777	131.2
[M]+	118.05255	125.1
[M]-	118.05365	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe