CID 73094735

4-benzyl-2-methylpiperidine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CC1CC(CCN1)CC2=CC=CC=C2

InChI

InChI=1S/C13H19N/c1-11-9-13(7-8-14-11)10-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3

InChIKey

OFGKRESMPJWYJJ-UHFFFAOYSA-N

Compound name

4-benzyl-2-methylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 189.15175 Da
Monoisotopic Mass: 2.9
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]+	190.15903	145.7
[M+Na]+	212.14097	158.8
[M+NH4]+	207.18557	155.3
[M+K]+	228.11491	150.5
[M-H]-	188.14447	150.1
[M+Na-2H]-	210.12642	153.8
[M]+	189.15120	148.8
[M]-	189.15230	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe