CID 2761095

4-(4-methylbenzenesulfonyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₇NO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2CCNCC2

InChI

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

InChIKey

PUMOKCFNAGLGPN-UHFFFAOYSA-N

Compound name

4-(4-methylphenyl)sulfonylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 239.098 Da
Monoisotopic Mass: 1.6
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]+	240.105276	152.6
[M+Na]+	262.087218	158.6
[M-H]-	238.090724	156.0
[M+NH4]+	257.131823	168.4
[M+K]+	278.061158	154.1
[M+H-H2O]+	222.095260	145.8
[M+HCOO]-	284.096201	164.7
[M+CH3COO]-	298.111851	184.9
[M+Na-2H]-	260.072666	155.4
[M]+	239.09745142	149.0
[M]-	239.09854858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe