CID 10866363

39077-59-3

Structural Information

Molecular Formula

C₈H₆N₂

SMILES

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

InChI

InChI=1S/C8H6N2/c9-6-3-5-8-4-1-2-7-10-8/h1-5,7H/b5-3+

InChIKey

ZIMQURWVGPGVMM-HWKANZROSA-N

Compound name

(E)-3-pyridin-2-ylprop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 130.0531 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]+	131.06038	129.6
[M+Na]+	153.04232	142.6
[M+NH4]+	148.08692	134.9
[M+K]+	169.01626	132.2
[M-H]-	129.04582	124.3
[M+Na-2H]-	151.02777	134.9
[M]+	130.05255	129.1
[M]-	130.05365	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe