CID 16204521

148292-41-5

Structural Information

Molecular Formula

C₁₁H₁₈N

SMILES

CCCCC[N+]1=CC=CC=C1C

InChI

InChI=1S/C11H18N/c1-3-4-6-9-12-10-7-5-8-11(12)2/h5,7-8,10H,3-4,6,9H2,1-2H3/q+1

InChIKey

WTLZQLNPNHJOSQ-UHFFFAOYSA-N

Compound name

2-methyl-1-pentylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 164.14392 Da
Monoisotopic Mass: 3.1
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]+	165.15120	138.1
[M+Na]+	187.13314	145.7
[M-H]-	163.13664	140.6
[M+NH4]+	182.17774	157.7
[M+K]+	203.10708	138.0
[M+H-H2O]+	147.14118	134.5
[M+HCOO]-	209.14212	160.5
[M+CH3COO]-	223.15777	174.9
[M+Na-2H]-	185.11859	146.9
[M]+	164.14337	138.5
[M]-	164.14447	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe