CID 7878

107-61-9

Structural Information

Molecular Formula

SMILES

C1CS(=O)(=O)CCO1

InChI

InChI=1S/C4H8O3S/c5-8(6)3-1-7-2-4-8/h1-4H2

InChIKey

WWRUZECKUVNAPB-UHFFFAOYSA-N

Compound name

1,4-oxathiane 4,4-dioxide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 332
Patents: 136.01941 Da
Monoisotopic Mass: -0.8
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]+	137.02669	123.6
[M+Na]+	159.00863	134.3
[M+NH4]+	154.05323	133.8
[M+K]+	174.98257	126.0
[M-H]-	135.01213	126.1
[M+Na-2H]-	156.99408	129.6
[M]+	136.01886	126.3
[M]-	136.01996	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe