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]+ 175.042336 133.7
[M+Na]+ 197.024278 143.9
[M-H]- 173.027784 140.6
[M+NH4]+ 192.068883 153.5
[M+K]+ 212.998218 142.9
[M+H-H2O]+ 157.032320 130.0
[M+HCOO]- 219.033261 149.8
[M+CH3COO]- 233.048911 176.9
[M+Na-2H]- 195.009726 139.8
[M]+ 174.03451142 136.4
[M]- 174.03560858 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.