CID 53403988

3-(ethanesulfonyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

CCS(=O)(=O)C1CCNC1

InChI

InChI=1S/C6H13NO2S/c1-2-10(8,9)6-3-4-7-5-6/h6-7H,2-5H2,1H3

InChIKey

ZANKHKIMFKGPQM-UHFFFAOYSA-N

Compound name

3-ethylsulfonylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.0667 Da
Monoisotopic Mass: -0.3
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]+	164.07398	135.8
[M+Na]+	186.05592	143.9
[M+NH4]+	181.10052	143.2
[M+K]+	202.02986	139.6
[M-H]-	162.05942	134.6
[M+Na-2H]-	184.04137	138.1
[M]+	163.06615	136.7
[M]-	163.06725	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.