CID 3086694

2-pyrrolidinone, 5-ethoxy-1-((4-methylphenyl)sulfonyl)-

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]+ 284.095106 163.0
[M+Na]+ 306.077048 171.7
[M-H]- 282.080554 169.0
[M+NH4]+ 301.121653 180.1
[M+K]+ 322.050988 168.7
[M+H-H2O]+ 266.085090 156.7
[M+HCOO]- 328.086031 179.1
[M+CH3COO]- 342.101681 195.7
[M+Na-2H]- 304.062496 163.3
[M]+ 283.08728142 166.9
[M]- 283.08837858 166.9
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.