CID 474264

Ethyl thiiran-2-ylmethylsulfanylformate

Structural Information

Molecular Formula
C6H10O2S2
SMILES
CCOC(=O)SCC1CS1
InChI
InChI=1S/C6H10O2S2/c1-2-8-6(7)10-4-5-3-9-5/h5H,2-4H2,1H3
InChIKey
RQEKOLTYPIFCPH-UHFFFAOYSA-N
Compound name
ethyl thiiran-2-ylmethylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.01222 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.01950 129.8
[M+Na]+ 201.00144 138.3
[M-H]- 177.00494 134.1
[M+NH4]+ 196.04604 145.6
[M+K]+ 216.97538 135.3
[M+H-H2O]+ 161.00948 123.4
[M+HCOO]- 223.01042 142.6
[M+CH3COO]- 237.02607 180.5
[M+Na-2H]- 198.98689 130.9
[M]+ 178.01167 136.0
[M]- 178.01277 136.0
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.