CID 64640966

1,1-diethoxy-2-methanesulfinylethane

Structural Information

Molecular Formula
C7H16O3S
SMILES
CCOC(CS(=O)C)OCC
InChI
InChI=1S/C7H16O3S/c1-4-9-7(10-5-2)6-11(3)8/h7H,4-6H2,1-3H3
InChIKey
XCTUBEXTFKGDFL-UHFFFAOYSA-N
Compound name
1,1-diethoxy-2-methylsulfinylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08202 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08930 139.5
[M+Na]+ 203.07124 148.1
[M+NH4]+ 198.11584 146.8
[M+K]+ 219.04518 142.0
[M-H]- 179.07474 138.1
[M+Na-2H]- 201.05669 141.2
[M]+ 180.08147 140.5
[M]- 180.08257 140.5
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.