CID 3614203

3-(phenylsulfonyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S

SMILES

C1CNCC1S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C10H13NO2S/c12-14(13,10-6-7-11-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2

InChIKey

LHGKEGUGTRSIKW-UHFFFAOYSA-N

Compound name

3-(benzenesulfonyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 211.0667 Da
Monoisotopic Mass: 0.9
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]+	212.073976	145.8
[M+Na]+	234.055918	153.1
[M-H]-	210.059424	149.8
[M+NH4]+	229.100523	164.6
[M+K]+	250.029858	149.3
[M+H-H2O]+	194.063960	139.8
[M+HCOO]-	256.064901	161.0
[M+CH3COO]-	270.080551	177.3
[M+Na-2H]-	232.041366	148.5
[M]+	211.06615142	143.5
[M]-	211.06724858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe