CID 115018607

2377032-43-2

Structural Information

Molecular Formula

C₇H₁₃NO₃S

SMILES

CS(=O)(=O)CC(=O)C1CCNC1

InChI

InChI=1S/C7H13NO3S/c1-12(10,11)5-7(9)6-2-3-8-4-6/h6,8H,2-5H2,1H3

InChIKey

PQOZKPSEUQSRAZ-UHFFFAOYSA-N

Compound name

2-methylsulfonyl-1-pyrrolidin-3-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 191.06161 Da
Monoisotopic Mass: -1.0
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]+	192.06889	142.6
[M+Na]+	214.05083	149.6
[M+NH4]+	209.09543	148.8
[M+K]+	230.02477	146.3
[M-H]-	190.05433	140.3
[M+Na-2H]-	212.03628	143.8
[M]+	191.06106	142.9
[M]-	191.06216	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe