CID 119054873

1936319-38-8

Structural Information

Molecular Formula
C6H8O3S
SMILES
C1C(=O)CC12CS(=O)(=O)C2
InChI
InChI=1S/C6H8O3S/c7-5-1-6(2-5)3-10(8,9)4-6/h1-4H2
InChIKey
XVLHJMGDFVPZRU-UHFFFAOYSA-N
Compound name
2,2-dioxo-2lambda6-thiaspiro[3.3]heptan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

160.01941 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02669 129.3
[M+Na]+ 183.00863 130.3
[M+NH4]+ 178.05323 132.1
[M+K]+ 198.98257 125.5
[M-H]- 159.01213 125.1
[M+Na-2H]- 180.99408 131.4
[M]+ 160.01886 126.6
[M]- 160.01996 126.6
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

patents stripe