CID 12185

Ethyl thioglycolate

Structural Information

Molecular Formula
C4H8O2S
SMILES
CCOC(=O)CS
InChI
InChI=1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3
InChIKey
PVBRSNZAOAJRKO-UHFFFAOYSA-N
Compound name
ethyl 2-sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

7968
Patents

120.0245 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.03178 123.3
[M+Na]+ 143.01372 133.3
[M+NH4]+ 138.05832 131.8
[M+K]+ 158.98766 126.6
[M-H]- 119.01722 122.8
[M+Na-2H]- 140.99917 126.4
[M]+ 120.02395 124.8
[M]- 120.02505 124.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe