CID 71777939

3-(propane-2-sulfonyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₇H₁₅NO₂S

SMILES

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

InChI

InChI=1S/C7H15NO2S/c1-6(2)11(9,10)7-3-4-8-5-7/h6-8H,3-5H2,1-2H3

InChIKey

NPQVPIJXGICUEI-UHFFFAOYSA-N

Compound name

3-propan-2-ylsulfonylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.08235 Da
Monoisotopic Mass: 0.2
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	139.5
[M+Na]+	200.071568	146.0
[M-H]-	176.075074	140.2
[M+NH4]+	195.116173	159.8
[M+K]+	216.045508	144.2
[M+H-H2O]+	160.079610	134.4
[M+HCOO]-	222.080551	152.7
[M+CH3COO]-	236.096201	173.5
[M+Na-2H]-	198.057016	140.0
[M]+	177.08180142	137.8
[M]-	177.08289858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe