CID 14344816

10551-42-5

Structural Information

Molecular Formula

C₁₅H₁₈N

SMILES

CC1=CC=CC=[N+]1CCCC2=CC=CC=C2

InChI

InChI=1S/C15H18N/c1-14-8-5-6-12-16(14)13-7-11-15-9-3-2-4-10-15/h2-6,8-10,12H,7,11,13H2,1H3/q+1

InChIKey

RLSJPVCYWIKQMA-UHFFFAOYSA-N

Compound name

2-methyl-1-(3-phenylpropyl)pyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 212.14392 Da
Monoisotopic Mass: 3.6
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]+	213.15120	148.0
[M+Na]+	235.13314	166.1
[M+NH4]+	230.17774	159.0
[M+K]+	251.10708	157.1
[M-H]-	211.13664	155.2
[M+Na-2H]-	233.11859	160.0
[M]+	212.14337	153.3
[M]-	212.14447	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe