CID 14344816

Ns00040821

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

2
Annotation Hits: 0
References: 9
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]+	213.151196	151.4
[M+Na]+	235.133138	158.4
[M-H]-	211.136644	156.6
[M+NH4]+	230.177743	168.4
[M+K]+	251.107078	148.7
[M+H-H2O]+	195.141180	145.9
[M+HCOO]-	257.142121	173.7
[M+CH3COO]-	271.157771	182.5
[M+Na-2H]-	233.118586	160.3
[M]+	212.14337142	150.5
[M]-	212.14446858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe