CID 474277

S-(thiiran-2-ylmethyl) 2-ethylsulfanylethanethioate

Structural Information

Molecular Formula
C7H12OS3
SMILES
CCSCC(=O)SCC1CS1
InChI
InChI=1S/C7H12OS3/c1-2-9-5-7(8)11-4-6-3-10-6/h6H,2-5H2,1H3
InChIKey
DVAKUHAZPWHRSW-UHFFFAOYSA-N
Compound name
S-(thiiran-2-ylmethyl) 2-ethylsulfanylethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01232 131.9
[M+Na]+ 230.99426 139.3
[M-H]- 206.99776 134.8
[M+NH4]+ 226.03886 146.1
[M+K]+ 246.96820 134.1
[M+H-H2O]+ 191.00230 125.0
[M+HCOO]- 253.00324 138.1
[M+CH3COO]- 267.01889 187.8
[M+Na-2H]- 228.97971 131.4
[M]+ 208.00449 136.1
[M]- 208.00559 136.1
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

No patent data available for this compound.