CID 3086729

111711-97-8

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

11
Patents

241.04088 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.048156 150.7
[M+Na]+ 264.030098 159.5
[M-H]- 240.033604 155.4
[M+NH4]+ 259.074703 168.5
[M+K]+ 280.004038 156.2
[M+H-H2O]+ 224.038140 145.0
[M+HCOO]- 286.039081 166.4
[M+CH3COO]- 300.054731 183.0
[M+Na-2H]- 262.015546 152.6
[M]+ 241.04033142 151.4
[M]- 241.04142858 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe