CID 3086719

111711-86-5

Structural Information

Molecular Formula
C15H19NO4S
SMILES
C1CCC(C1)OC2CCC(=O)N2S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H19NO4S/c17-14-10-11-15(20-12-6-4-5-7-12)16(14)21(18,19)13-8-2-1-3-9-13/h1-3,8-9,12,15H,4-7,10-11H2
InChIKey
QMFHLVXDQOSONK-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5-cyclopentyloxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1035 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.110776 172.4
[M+Na]+ 332.092718 178.8
[M-H]- 308.096224 180.9
[M+NH4]+ 327.137323 189.5
[M+K]+ 348.066658 175.9
[M+H-H2O]+ 292.100760 166.0
[M+HCOO]- 354.101701 187.5
[M+CH3COO]- 368.117351 197.3
[M+Na-2H]- 330.078166 170.3
[M]+ 309.10295142 172.4
[M]- 309.10404858 172.4
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

No patent data available for this compound.