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 141.2
[M+Na]+ 217.05050 147.7
[M-H]- 193.05400 141.4
[M+NH4]+ 212.09510 161.1
[M+K]+ 233.02444 147.8
[M+H-H2O]+ 177.05854 135.6
[M+HCOO]- 239.05948 159.3
[M+CH3COO]- 253.07513 181.2
[M+Na-2H]- 215.03595 143.2
[M]+ 194.06073 149.2
[M]- 194.06183 149.2
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