CID 61715

3-isobutylpyridine

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CC(C)CC1=CN=CC=C1

InChI

InChI=1S/C9H13N/c1-8(2)6-9-4-3-5-10-7-9/h3-5,7-8H,6H2,1-2H3

InChIKey

DEGXTCKEZCCZOP-UHFFFAOYSA-N

Compound name

3-(2-methylpropyl)pyridine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1412
Patents: 135.1048 Da
Monoisotopic Mass: 2.5
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]+	136.11208	128.8
[M+Na]+	158.09402	142.3
[M+NH4]+	153.13862	138.2
[M+K]+	174.06796	135.2
[M-H]-	134.09752	131.2
[M+Na-2H]-	156.07947	136.9
[M]+	135.10425	131.5
[M]-	135.10535	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe