CID 13415151

3-ethylpicolinonitrile

Structural Information

Molecular Formula

C₈H₈N₂

SMILES

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

InChI

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

InChIKey

COPNNCNAIOAIDF-UHFFFAOYSA-N

Compound name

3-ethylpyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 132.06874 Da
Monoisotopic Mass: 1.7
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]+	133.07602	124.9
[M+Na]+	155.05796	135.4
[M-H]-	131.06146	126.9
[M+NH4]+	150.10256	143.6
[M+K]+	171.03190	132.8
[M+H-H2O]+	115.06600	112.2
[M+HCOO]-	177.06694	144.8
[M+CH3COO]-	191.08259	186.4
[M+Na-2H]-	153.04341	132.6
[M]+	132.06819	120.2
[M]-	132.06929	120.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe