CID 3086729

Brn 4750990

Structural Information

Molecular Formula

C₁₀H₁₁NO₄S

SMILES

C1CC(=O)N(C1O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C10H11NO4S/c12-9-6-7-10(13)11(9)16(14,15)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2

InChIKey

LJDRTKSCZIXLQV-UHFFFAOYSA-N

Compound name

1-(benzenesulfonyl)-5-hydroxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 241.04088 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]+	242.04816	150.7
[M+Na]+	264.03010	159.5
[M-H]-	240.03360	155.4
[M+NH4]+	259.07470	168.5
[M+K]+	280.00404	156.2
[M+H-H2O]+	224.03814	145.0
[M+HCOO]-	286.03908	166.4
[M+CH3COO]-	300.05473	183.0
[M+Na-2H]-	262.01555	152.6
[M]+	241.04033	151.4
[M]-	241.04143	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe