CID 474258

S-[(2-methylthiiran-2-yl)methyl] ethanethioate

Structural Information

Molecular Formula
C6H10OS2
SMILES
CC(=O)SCC1(CS1)C
InChI
InChI=1S/C6H10OS2/c1-5(7)8-3-6(2)4-9-6/h3-4H2,1-2H3
InChIKey
VEFJLPHKLPUMRS-UHFFFAOYSA-N
Compound name
S-[(2-methylthiiran-2-yl)methyl] ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.0173 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.02458 125.2
[M+Na]+ 185.00652 134.0
[M-H]- 161.01002 129.5
[M+NH4]+ 180.05112 143.3
[M+K]+ 200.98046 132.0
[M+H-H2O]+ 145.01456 120.2
[M+HCOO]- 207.01550 137.2
[M+CH3COO]- 221.03115 178.9
[M+Na-2H]- 182.99197 127.7
[M]+ 162.01675 130.6
[M]- 162.01785 130.6
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.