CID 53485993

1803585-98-9

Structural Information

Molecular Formula

C₈H₁₇NO₂S

SMILES

CS(=O)(=O)CCC1CCCCN1

InChI

InChI=1S/C8H17NO2S/c1-12(10,11)7-5-8-4-2-3-6-9-8/h8-9H,2-7H2,1H3

InChIKey

GXOZWSDGABKARV-UHFFFAOYSA-N

Compound name

2-(2-methylsulfonylethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 191.098 Da
Monoisotopic Mass: 0.4
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]+	192.10528	142.0
[M+Na]+	214.08722	147.3
[M-H]-	190.09072	142.0
[M+NH4]+	209.13182	159.9
[M+K]+	230.06116	144.5
[M+H-H2O]+	174.09526	136.3
[M+HCOO]-	236.09620	153.8
[M+CH3COO]-	250.11185	176.0
[M+Na-2H]-	212.07267	144.7
[M]+	191.09745	139.1
[M]-	191.09855	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe