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: 7
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]+	164.073976	135.1
[M+Na]+	186.055918	142.4
[M-H]-	162.059424	135.9
[M+NH4]+	181.100523	156.0
[M+K]+	202.029858	140.3
[M+H-H2O]+	146.063960	130.1
[M+HCOO]-	208.064901	149.7
[M+CH3COO]-	222.080551	169.6
[M+Na-2H]-	184.041366	137.2
[M]+	163.06615142	133.7
[M]-	163.06724858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe