CID 177801969

5lambda6-thiaspiro[2.5]octane-5,5,7-trione

Structural Information

Molecular Formula
C7H10O3S
SMILES
C1CC12CC(=O)CS(=O)(=O)C2
InChI
InChI=1S/C7H10O3S/c8-6-3-7(1-2-7)5-11(9,10)4-6/h1-5H2
InChIKey
ZIMUNSLQFDTAPJ-UHFFFAOYSA-N
Compound name
5,5-dioxo-5lambda6-thiaspiro[2.5]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.03506 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.04234 133.7
[M+Na]+ 197.02428 143.9
[M-H]- 173.02778 140.6
[M+NH4]+ 192.06888 153.5
[M+K]+ 212.99822 142.9
[M+H-H2O]+ 157.03232 130.0
[M+HCOO]- 219.03326 149.8
[M+CH3COO]- 233.04891 176.9
[M+Na-2H]- 195.00973 139.8
[M]+ 174.03451 136.4
[M]- 174.03561 136.4
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.