CID 72918

4-pentylpyridine

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CCCCCC1=CC=NC=C1

InChI

InChI=1S/C10H15N/c1-2-3-4-5-10-6-8-11-9-7-10/h6-9H,2-5H2,1H3

InChIKey

ABJVUPUJUGBUMM-UHFFFAOYSA-N

Compound name

4-pentylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 777
Patents: 149.12045 Da
Monoisotopic Mass: 3.2
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]+	150.12773	132.7
[M+Na]+	172.10967	139.7
[M-H]-	148.11317	134.5
[M+NH4]+	167.15427	152.7
[M+K]+	188.08361	137.6
[M+H-H2O]+	132.11771	126.0
[M+HCOO]-	194.11865	155.6
[M+CH3COO]-	208.13430	177.2
[M+Na-2H]-	170.09512	140.6
[M]+	149.11990	133.5
[M]-	149.12100	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe