CID 78532

4-isobutylpyridine

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CC(C)CC1=CC=NC=C1

InChI

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

InChIKey

WACPXLKEEAMYCH-UHFFFAOYSA-N

Compound name

4-(2-methylpropyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1100
Patents: 135.1048 Da
Monoisotopic Mass: 2.4
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	128.3
[M+Na]+	158.09402	135.5
[M-H]-	134.09752	130.5
[M+NH4]+	153.13862	148.9
[M+K]+	174.06796	134.1
[M+H-H2O]+	118.10206	122.0
[M+HCOO]-	180.10300	150.6
[M+CH3COO]-	194.11865	175.0
[M+Na-2H]-	156.07947	135.6
[M]+	135.10425	128.1
[M]-	135.10535	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe