CID 3086694

Brn 4755491

Structural Information

Molecular Formula
C13H17NO4S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C13H17NO4S/c1-3-18-13-9-8-12(15)14(13)19(16,17)11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3
InChIKey
LSIPRUFFORHIQN-UHFFFAOYSA-N
Compound name
5-ethoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08783 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09511 164.4
[M+Na]+ 306.07705 174.8
[M+NH4]+ 301.12165 170.9
[M+K]+ 322.05099 169.8
[M-H]- 282.08055 165.3
[M+Na-2H]- 304.06250 168.5
[M]+ 283.08728 166.4
[M]- 283.08838 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.