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 130.1
[M+Na]+ 211.03994 136.3
[M-H]- 187.04344 135.6
[M+NH4]+ 206.08454 147.6
[M+K]+ 227.01388 137.5
[M+H-H2O]+ 171.04798 121.5
[M+HCOO]- 233.04892 144.7
[M+CH3COO]- 247.06457 179.4
[M+Na-2H]- 209.02539 135.4
[M]+ 188.05017 137.6
[M]- 188.05127 137.6
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.