CID 18369683

2-(2-methoxyethoxy)ethyl 2-sulfanylacetate

Structural Information

Molecular Formula
C7H14O4S
SMILES
COCCOCCOC(=O)CS
InChI
InChI=1S/C7H14O4S/c1-9-2-3-10-4-5-11-7(8)6-12/h12H,2-6H2,1H3
InChIKey
REISVQFGJQBRRN-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)ethyl 2-sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

194.06128 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06856 142.3
[M+Na]+ 217.05050 150.7
[M+NH4]+ 212.09510 149.1
[M+K]+ 233.02444 144.4
[M-H]- 193.05400 140.5
[M+Na-2H]- 215.03595 143.8
[M]+ 194.06073 143.1
[M]- 194.06183 143.1
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