CID 125425743

2lambda6-thiaspiro[3.5]nonane-2,2,7-trione

Structural Information

Molecular Formula
C8H12O3S
SMILES
C1CC2(CCC1=O)CS(=O)(=O)C2
InChI
InChI=1S/C8H12O3S/c9-7-1-3-8(4-2-7)5-12(10,11)6-8/h1-6H2
InChIKey
LQHFFXZKATZJRY-UHFFFAOYSA-N
Compound name
2,2-dioxo-2lambda6-thiaspiro[3.5]nonan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.05072 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05800 135.3
[M+Na]+ 211.03994 140.7
[M+NH4]+ 206.08454 142.6
[M+K]+ 227.01388 132.5
[M-H]- 187.04344 134.2
[M+Na-2H]- 209.02539 140.1
[M]+ 188.05017 135.1
[M]- 188.05127 135.1
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.