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]+ 191.03726 135.6
[M+Na]+ 213.01920 146.1
[M-H]- 189.02270 141.2
[M+NH4]+ 208.06380 155.7
[M+K]+ 228.99314 144.2
[M+H-H2O]+ 173.02724 133.3
[M+HCOO]- 235.02818 151.3
[M+CH3COO]- 249.04383 176.9
[M+Na-2H]- 211.00465 139.5
[M]+ 190.02943 139.7
[M]- 190.03053 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.