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

165
Patents

198.0562 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06348 139.5
[M+Na]+ 221.04542 147.1
[M-H]- 197.04892 140.0
[M+NH4]+ 216.09002 159.3
[M+K]+ 237.01936 147.2
[M+H-H2O]+ 181.05346 134.5
[M+HCOO]- 243.05440 157.9
[M+CH3COO]- 257.07005 179.7
[M+Na-2H]- 219.03087 144.1
[M]+ 198.05565 148.2
[M]- 198.05675 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