CID 3086721

Brn 4757784

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]+ 312.12642 172.4
[M+Na]+ 334.10836 179.4
[M-H]- 310.11186 177.6
[M+NH4]+ 329.15296 188.1
[M+K]+ 350.08230 175.8
[M+H-H2O]+ 294.11640 165.4
[M+HCOO]- 356.11734 187.9
[M+CH3COO]- 370.13299 200.4
[M+Na-2H]- 332.09381 172.3
[M]+ 311.11859 176.6
[M]- 311.11969 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.