CID 73739

2-ethylisonicotinonitrile

Structural Information

Molecular Formula

C₈H₈N₂

SMILES

CCC1=NC=CC(=C1)C#N

InChI

InChI=1S/C8H8N2/c1-2-8-5-7(6-9)3-4-10-8/h3-5H,2H2,1H3

InChIKey

WERAOGVQORFBMU-UHFFFAOYSA-N

Compound name

2-ethylpyridine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 132.06874 Da
Monoisotopic Mass: 1.2
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]+	133.07602	128.2
[M+Na]+	155.05796	141.5
[M+NH4]+	150.10256	133.8
[M+K]+	171.03190	131.5
[M-H]-	131.06146	123.2
[M+Na-2H]-	153.04341	133.6
[M]+	132.06819	127.9
[M]-	132.06929	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe