CID 54059246

4-(propane-1-sulfonyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₈H₁₇NO₂S

SMILES

CCCS(=O)(=O)C1CCNCC1

InChI

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

InChIKey

DKTSBKXVRSABTM-UHFFFAOYSA-N

Compound name

4-propylsulfonylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 191.098 Da
Monoisotopic Mass: 0.6
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]+	192.105276	142.0
[M+Na]+	214.087218	147.3
[M-H]-	190.090724	142.0
[M+NH4]+	209.131823	159.9
[M+K]+	230.061158	144.5
[M+H-H2O]+	174.095260	136.3
[M+HCOO]-	236.096201	153.8
[M+CH3COO]-	250.111851	176.0
[M+Na-2H]-	212.072666	144.7
[M]+	191.09745142	139.1
[M]-	191.09854858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe