CID 3086718

Brn 4756522

Structural Information

Molecular Formula
C14H19NO4S
SMILES
CCCCOC1CCC(=O)N1S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO4S/c1-2-3-11-19-14-10-9-13(16)15(14)20(17,18)12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3
InChIKey
KFKUNINQJQROMR-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5-butoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1035 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11078 168.0
[M+Na]+ 320.09272 175.4
[M-H]- 296.09622 173.4
[M+NH4]+ 315.13732 184.3
[M+K]+ 336.06666 172.1
[M+H-H2O]+ 280.10076 161.2
[M+HCOO]- 342.10170 183.9
[M+CH3COO]- 356.11735 197.4
[M+Na-2H]- 318.07817 168.4
[M]+ 297.10295 171.9
[M]- 297.10405 171.9
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.