CID 193832

1-butylpyridinium chloride

Structural Information

Molecular Formula

C₉H₁₄N

SMILES

CCCC[N+]1=CC=CC=C1

InChI

InChI=1S/C9H14N/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3/q+1

InChIKey

REACWASHYHDPSQ-UHFFFAOYSA-N

Compound name

1-butylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 52
References: 12165
Patents: 136.11263 Da
Monoisotopic Mass: 2.2
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]+	137.11991	129.3
[M+Na]+	159.10185	136.8
[M-H]-	135.10535	131.7
[M+NH4]+	154.14645	149.7
[M+K]+	175.07579	129.6
[M+H-H2O]+	119.10989	125.8
[M+HCOO]-	181.11083	152.4
[M+CH3COO]-	195.12648	167.8
[M+Na-2H]-	157.08730	139.9
[M]+	136.11208	128.6
[M]-	136.11318	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe