CID 474271

Ethyl 2-oxo-2-(thiiran-2-ylmethylsulfanyl)acetate

Structural Information

Molecular Formula
C7H10O3S2
SMILES
CCOC(=O)C(=O)SCC1CS1
InChI
InChI=1S/C7H10O3S2/c1-2-10-6(8)7(9)12-4-5-3-11-5/h5H,2-4H2,1H3
InChIKey
PBNQUAFNQGSFSK-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-2-(thiiran-2-ylmethylsulfanyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.00714 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.01442 137.4
[M+Na]+ 228.99636 145.2
[M-H]- 204.99986 141.4
[M+NH4]+ 224.04096 151.9
[M+K]+ 244.97030 142.0
[M+H-H2O]+ 189.00440 130.9
[M+HCOO]- 251.00534 149.2
[M+CH3COO]- 265.02099 184.5
[M+Na-2H]- 226.98181 137.2
[M]+ 206.00659 144.0
[M]- 206.00769 144.0
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

No patent data available for this compound.