CID 3086700

Brn 4753274

Structural Information

Molecular Formula
C10H13NO4S2
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CSC=C2
InChI
InChI=1S/C10H13NO4S2/c1-2-15-10-4-3-9(12)11(10)17(13,14)8-5-6-16-7-8/h5-7,10H,2-4H2,1H3
InChIKey
XXDYMSGLQVUDLM-UHFFFAOYSA-N
Compound name
5-ethoxy-1-thiophen-3-ylsulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.0286 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.03588 162.6
[M+Na]+ 298.01782 172.0
[M-H]- 274.02132 168.6
[M+NH4]+ 293.06242 181.9
[M+K]+ 313.99176 169.1
[M+H-H2O]+ 258.02586 157.9
[M+HCOO]- 320.02680 175.2
[M+CH3COO]- 334.04245 190.5
[M+Na-2H]- 296.00327 160.7
[M]+ 275.02805 167.1
[M]- 275.02915 167.1
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

patents stripe