CID 71777947

4-(cyclohexanesulfonyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₁NO₂S

SMILES

C1CCC(CC1)S(=O)(=O)C2CCNCC2

InChI

InChI=1S/C11H21NO2S/c13-15(14,10-4-2-1-3-5-10)11-6-8-12-9-7-11/h10-12H,1-9H2

InChIKey

ZGKQYPOVVAFHEB-UHFFFAOYSA-N

Compound name

4-cyclohexylsulfonylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 231.1293 Da
Monoisotopic Mass: 1.5
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]+	232.136576	152.8
[M+Na]+	254.118518	155.2
[M-H]-	230.122024	154.8
[M+NH4]+	249.163123	168.3
[M+K]+	270.092458	151.8
[M+H-H2O]+	214.126560	146.0
[M+HCOO]-	276.127501	161.0
[M+CH3COO]-	290.143151	182.0
[M+Na-2H]-	252.103966	153.9
[M]+	231.12875142	144.4
[M]-	231.12984858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe