CID 76145204

3-(2-methylpropane-2-sulfonyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₈H₁₇NO₂S

SMILES

CC(C)(C)S(=O)(=O)C1CCNC1

InChI

InChI=1S/C8H17NO2S/c1-8(2,3)12(10,11)7-4-5-9-6-7/h7,9H,4-6H2,1-3H3

InChIKey

LIKMCYHXZQPPRR-UHFFFAOYSA-N

Compound name

3-tert-butylsulfonylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 191.098 Da
Monoisotopic Mass: 0.4
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]+	192.10528	144.5
[M+Na]+	214.08722	151.3
[M-H]-	190.09072	145.3
[M+NH4]+	209.13182	164.5
[M+K]+	230.06116	149.3
[M+H-H2O]+	174.09526	139.9
[M+HCOO]-	236.09620	156.9
[M+CH3COO]-	250.11185	175.4
[M+Na-2H]-	212.07267	146.6
[M]+	191.09745	143.2
[M]-	191.09855	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe