CID 61385

2-isobutylpyridine

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CC(C)CC1=CC=CC=N1

InChI

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

InChIKey

BBVSPSDWPYWMOR-UHFFFAOYSA-N

Compound name

2-(2-methylpropyl)pyridine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1455
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