CID 3858345

2-(4-methoxyphenyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

COC1=CC=C(C=C1)C2CCCCN2

InChI

InChI=1S/C12H17NO/c1-14-11-7-5-10(6-8-11)12-4-2-3-9-13-12/h5-8,12-13H,2-4,9H2,1H3

InChIKey

PFEQGLKEECTHNQ-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 191.13101 Da
Monoisotopic Mass: 2.1
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]+	192.13829	144.4
[M+Na]+	214.12023	157.2
[M+NH4]+	209.16483	153.5
[M+K]+	230.09417	149.7
[M-H]-	190.12373	148.2
[M+Na-2H]-	212.10568	152.2
[M]+	191.13046	147.2
[M]-	191.13156	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe