CID 81454

2-isopentylpyridine

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC(C)CCC1=CC=CC=N1

InChI

InChI=1S/C10H15N/c1-9(2)6-7-10-5-3-4-8-11-10/h3-5,8-9H,6-7H2,1-2H3

InChIKey

UHDOWIRKQWDHEC-UHFFFAOYSA-N

Compound name

2-(3-methylbutyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 273
Patents: 149.12045 Da
Monoisotopic Mass: 2.6
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]+	150.127726	133.0
[M+Na]+	172.109668	139.8
[M-H]-	148.113174	135.0
[M+NH4]+	167.154273	153.0
[M+K]+	188.083608	138.1
[M+H-H2O]+	132.117710	126.5
[M+HCOO]-	194.118651	155.0
[M+CH3COO]-	208.134301	178.0
[M+Na-2H]-	170.095116	139.7
[M]+	149.11990142	133.2
[M]-	149.12099858	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe