CID 146049825

5,5-dioxo-5lambda6-thiaspiro[2.4]heptane-7-carboxylic acid

Structural Information

Molecular Formula
C7H10O4S
SMILES
C1CC12CS(=O)(=O)CC2C(=O)O
InChI
InChI=1S/C7H10O4S/c8-6(9)5-3-12(10,11)4-7(5)1-2-7/h5H,1-4H2,(H,8,9)
InChIKey
WVBXOSRUDBSHMK-UHFFFAOYSA-N
Compound name
5,5-dioxo-5lambda6-thiaspiro[2.4]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.02998 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.037256 135.6
[M+Na]+ 213.019198 146.1
[M-H]- 189.022704 141.2
[M+NH4]+ 208.063803 155.7
[M+K]+ 228.993138 144.2
[M+H-H2O]+ 173.027240 133.3
[M+HCOO]- 235.028181 151.3
[M+CH3COO]- 249.043831 176.9
[M+Na-2H]- 211.004646 139.5
[M]+ 190.02943142 139.7
[M]- 190.03052858 139.7
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.