CID 132398718

6,7-dithiaspiro[3.4]octan-2-one

Structural Information

Molecular Formula
C6H8OS2
SMILES
C1C(=O)CC12CSSC2
InChI
InChI=1S/C6H8OS2/c7-5-1-6(2-5)3-8-9-4-6/h1-4H2
InChIKey
CKSXZGVEFFHIOW-UHFFFAOYSA-N
Compound name
6,7-dithiaspiro[3.4]octan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.00166 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.008936 120.7
[M+Na]+ 182.990878 126.6
[M-H]- 158.994384 125.8
[M+NH4]+ 178.035483 139.2
[M+K]+ 198.964818 127.2
[M+H-H2O]+ 142.998920 111.7
[M+HCOO]- 204.999861 131.9
[M+CH3COO]- 219.015511 175.1
[M+Na-2H]- 180.976326 122.6
[M]+ 160.00111142 128.3
[M]- 160.00220858 128.3
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.