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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.03588	162.9
[M+Na]+	298.01782	170.7
[M+NH4]+	293.06242	169.6
[M+K]+	313.99176	166.3
[M-H]-	274.02132	163.1
[M+Na-2H]-	296.00327	164.8
[M]+	275.02805	164.6
[M]-	275.02915	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe