CID 227806

3-cyano-4-methylpyridine

Structural Information

Molecular Formula

C₇H₆N₂

SMILES

CC1=C(C=NC=C1)C#N

InChI

InChI=1S/C7H6N2/c1-6-2-3-9-5-7(6)4-8/h2-3,5H,1H3

InChIKey

XLAPHZHNODDMDD-UHFFFAOYSA-N

Compound name

4-methylpyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 620
Patents: 118.0531 Da
Monoisotopic Mass: 0.9
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	124.1
[M+Na]+	141.04232	137.6
[M+NH4]+	136.08692	129.8
[M+K]+	157.01626	127.8
[M-H]-	117.04582	119.2
[M+Na-2H]-	139.02777	129.8
[M]+	118.05255	123.9
[M]-	118.05365	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe