CID 10890006

3-(3-(methylsulfonyl)phenyl)piperidine

Structural Information

Molecular Formula

C₁₂H₁₇NO₂S

SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2CCCNC2

InChI

InChI=1S/C12H17NO2S/c1-16(14,15)12-6-2-4-10(8-12)11-5-3-7-13-9-11/h2,4,6,8,11,13H,3,5,7,9H2,1H3

InChIKey

KMVLMAUQHRUFDO-UHFFFAOYSA-N

Compound name

3-(3-methylsulfonylphenyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 239.098 Da
Monoisotopic Mass: 1.3
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]+	240.10528	152.6
[M+Na]+	262.08722	164.1
[M+NH4]+	257.13182	160.7
[M+K]+	278.06116	156.2
[M-H]-	238.09072	155.0
[M+Na-2H]-	260.07267	159.0
[M]+	239.09745	155.3
[M]-	239.09855	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe