CID 3076042

5-methyl bis-thiololactone

Structural Information

Molecular Formula
C9H10O2S2
SMILES
CC1CC2C3C(C1SC3=O)C(=O)S2
InChI
InChI=1S/C9H10O2S2/c1-3-2-4-5-6(9(11)12-4)7(3)13-8(5)10/h3-7H,2H2,1H3
InChIKey
HPOOCASOSDTFSM-UHFFFAOYSA-N
Compound name
2-methyl-5,10-dithiatricyclo[5.3.0.04,8]decane-6,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.01222 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01950 144.6
[M+Na]+ 237.00144 153.1
[M+NH4]+ 232.04604 155.1
[M+K]+ 252.97538 147.0
[M-H]- 213.00494 145.7
[M+Na-2H]- 234.98689 143.8
[M]+ 214.01167 146.9
[M]- 214.01277 146.9
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.