CID 3086721

111711-88-7

Structural Information

Molecular Formula
C15H21NO4S
SMILES
CCCCCOC1CCC(=O)N1S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO4S/c1-2-3-7-12-20-15-11-10-14(17)16(15)21(18,19)13-8-5-4-6-9-13/h4-6,8-9,15H,2-3,7,10-12H2,1H3
InChIKey
DIMTUERVLUMKTM-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5-pentoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.11914 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.126416 172.4
[M+Na]+ 334.108358 179.4
[M-H]- 310.111864 177.6
[M+NH4]+ 329.152963 188.1
[M+K]+ 350.082298 175.8
[M+H-H2O]+ 294.116400 165.4
[M+HCOO]- 356.117341 187.9
[M+CH3COO]- 370.132991 200.4
[M+Na-2H]- 332.093806 172.3
[M]+ 311.11859142 176.6
[M]- 311.11968858 176.6
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.