CID 125425743

2060042-83-1

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]+ 189.057996 130.1
[M+Na]+ 211.039938 136.3
[M-H]- 187.043444 135.6
[M+NH4]+ 206.084543 147.6
[M+K]+ 227.013878 137.5
[M+H-H2O]+ 171.047980 121.5
[M+HCOO]- 233.048921 144.7
[M+CH3COO]- 247.064571 179.4
[M+Na-2H]- 209.025386 135.4
[M]+ 188.05017142 137.6
[M]- 188.05126858 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.