CID 3086722

111711-89-8

Structural Information

Molecular Formula
C16H23NO4S
SMILES
CCCCCCOC1CCC(=O)N1S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO4S/c1-2-3-4-8-13-21-16-12-11-15(18)17(16)22(19,20)14-9-6-5-7-10-14/h5-7,9-10,16H,2-4,8,11-13H2,1H3
InChIKey
GYYBSXFRNPEHGE-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5-hexoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.13477 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14205 177.0
[M+Na]+ 348.12399 186.4
[M+NH4]+ 343.16859 183.0
[M+K]+ 364.09793 180.5
[M-H]- 324.12749 177.7
[M+Na-2H]- 346.10944 180.6
[M]+ 325.13422 178.8
[M]- 325.13532 178.8
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.