CID 3086715

Brn 4752605

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]+ 256.06381 155.8
[M+Na]+ 278.04575 166.1
[M+NH4]+ 273.09035 162.5
[M+K]+ 294.01969 161.4
[M-H]- 254.04925 156.6
[M+Na-2H]- 276.03120 160.5
[M]+ 255.05598 157.7
[M]- 255.05708 157.7
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.