CID 3086715

1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one

Structural Information

Molecular Formula
C11H13NO4S
SMILES
COC1CCC(=O)N1S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO4S/c1-16-11-8-7-10(13)12(11)17(14,15)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKey
HASBQZOQAQDOOU-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.05653 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.063806 154.8
[M+Na]+ 278.045748 163.5
[M-H]- 254.049254 160.7
[M+NH4]+ 273.090353 172.7
[M+K]+ 294.019688 160.9
[M+H-H2O]+ 238.053790 148.6
[M+HCOO]- 300.054731 171.6
[M+CH3COO]- 314.070381 188.5
[M+Na-2H]- 276.031196 156.6
[M]+ 255.05598142 157.6
[M]- 255.05707858 157.6
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.