CID 53404297

4-(ethanesulfonyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₇H₁₅NO₂S

SMILES

CCS(=O)(=O)C1CCNCC1

InChI

InChI=1S/C7H15NO2S/c1-2-11(9,10)7-3-5-8-6-4-7/h7-8H,2-6H2,1H3

InChIKey

JMYXSHLCNUBQQY-UHFFFAOYSA-N

Compound name

4-ethylsulfonylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 177.08235 Da
Monoisotopic Mass: 0.1
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]+	178.089626	137.7
[M+Na]+	200.071568	143.4
[M-H]-	176.075074	137.9
[M+NH4]+	195.116173	156.1
[M+K]+	216.045508	140.9
[M+H-H2O]+	160.079610	132.2
[M+HCOO]-	222.080551	149.8
[M+CH3COO]-	236.096201	172.9
[M+Na-2H]-	198.057016	140.8
[M]+	177.08180142	134.4
[M]-	177.08289858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe