CID 3077890

Brn 4754694

Structural Information

Molecular Formula
C13H15NO4S
SMILES
C=CCOC1CCC(=O)N1S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H15NO4S/c1-2-10-18-13-9-8-12(15)14(13)19(16,17)11-6-4-3-5-7-11/h2-7,13H,1,8-10H2
InChIKey
JNTCBQIXPJVKOA-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5-prop-2-enoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.07217 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07945 163.9
[M+Na]+ 304.06139 173.9
[M+NH4]+ 299.10599 170.0
[M+K]+ 320.03533 168.6
[M-H]- 280.06489 164.4
[M+Na-2H]- 302.04684 168.0
[M]+ 281.07162 165.6
[M]- 281.07272 165.6
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.