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

5
Patents

196.07693 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.084206 141.1
[M+Na]+ 219.066148 148.2
[M-H]- 195.069654 141.5
[M+NH4]+ 214.110753 161.0
[M+K]+ 235.040088 148.0
[M+H-H2O]+ 179.074190 136.2
[M+HCOO]- 241.075131 157.9
[M+CH3COO]- 255.090781 181.4
[M+Na-2H]- 217.051596 143.9
[M]+ 196.07638142 148.1
[M]- 196.07747858 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