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 176.8
[M+Na]+ 348.12399 183.3
[M-H]- 324.12749 181.7
[M+NH4]+ 343.16859 191.8
[M+K]+ 364.09793 179.5
[M+H-H2O]+ 308.13203 169.6
[M+HCOO]- 370.13297 191.9
[M+CH3COO]- 384.14862 203.4
[M+Na-2H]- 346.10944 176.2
[M]+ 325.13422 181.3
[M]- 325.13532 181.3
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.