CID 3815654

60696-83-5

Structural Information

Molecular Formula
C6H14O5S
SMILES
COCCOCCOS(=O)(=O)C
InChI
InChI=1S/C6H14O5S/c1-9-3-4-10-5-6-11-12(2,7)8/h3-6H2,1-2H3
InChIKey
FCHYIMQJCGYDPR-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

198.0562 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.063476 139.5
[M+Na]+ 221.045418 147.1
[M-H]- 197.048924 140.0
[M+NH4]+ 216.090023 159.3
[M+K]+ 237.019358 147.2
[M+H-H2O]+ 181.053460 134.5
[M+HCOO]- 243.054401 157.9
[M+CH3COO]- 257.070051 179.7
[M+Na-2H]- 219.030866 144.1
[M]+ 198.05565142 148.2
[M]- 198.05674858 148.2
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