CID 91703082

Hcsoonnwnnubri-uhfffaoysa-n

Structural Information

Molecular Formula
C6H12O5S
SMILES
CCS(=O)(=O)C(C(=O)OC)OC
InChI
InChI=1S/C6H12O5S/c1-4-12(8,9)6(11-3)5(7)10-2/h6H,4H2,1-3H3
InChIKey
HCSOONNWNNUBRI-UHFFFAOYSA-N
Compound name
methyl 2-ethylsulfonyl-2-methoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.04054 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.047816 138.0
[M+Na]+ 219.029758 145.4
[M-H]- 195.033264 138.6
[M+NH4]+ 214.074363 157.7
[M+K]+ 235.003698 145.9
[M+H-H2O]+ 179.037800 133.3
[M+HCOO]- 241.038741 154.5
[M+CH3COO]- 255.054391 179.7
[M+Na-2H]- 217.015206 140.4
[M]+ 196.03999142 144.6
[M]- 196.04108858 144.6
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

No patent data available for this compound.