CID 12815897

2-(2,2-dimethoxyethanesulfonyl)-1,1-dimethoxyethane

Structural Information

Molecular Formula
C8H18O6S
SMILES
COC(CS(=O)(=O)CC(OC)OC)OC
InChI
InChI=1S/C8H18O6S/c1-11-7(12-2)5-15(9,10)6-8(13-3)14-4/h7-8H,5-6H2,1-4H3
InChIKey
VCMBFBUXKPEPLM-UHFFFAOYSA-N
Compound name
2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

242.08241 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08969 151.0
[M+Na]+ 265.07163 156.9
[M-H]- 241.07513 151.1
[M+NH4]+ 260.11623 168.7
[M+K]+ 281.04557 158.1
[M+H-H2O]+ 225.07967 145.5
[M+HCOO]- 287.08061 166.9
[M+CH3COO]- 301.09626 189.4
[M+Na-2H]- 263.05708 152.7
[M]+ 242.08186 160.6
[M]- 242.08296 160.6
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