CID 64635249

1,1-diethoxy-2-methanesulfonylethane

Structural Information

Molecular Formula
C7H16O4S
SMILES
CCOC(CS(=O)(=O)C)OCC
InChI
InChI=1S/C7H16O4S/c1-4-10-7(11-5-2)6-12(3,8)9/h7H,4-6H2,1-3H3
InChIKey
JYIFXWJJPGVAOD-UHFFFAOYSA-N
Compound name
1,1-diethoxy-2-methylsulfonylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

196.07693 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08421 141.1
[M+Na]+ 219.06615 148.2
[M-H]- 195.06965 141.5
[M+NH4]+ 214.11075 161.0
[M+K]+ 235.04009 148.0
[M+H-H2O]+ 179.07419 136.2
[M+HCOO]- 241.07513 157.9
[M+CH3COO]- 255.09078 181.4
[M+Na-2H]- 217.05160 143.9
[M]+ 196.07638 148.1
[M]- 196.07748 148.1
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