CID 146050281

2413900-46-4

Structural Information

Molecular Formula
C8H12O4S
SMILES
C1CC2CS(=O)(=O)CC2(C1)C(=O)O
InChI
InChI=1S/C8H12O4S/c9-7(10)8-3-1-2-6(8)4-13(11,12)5-8/h6H,1-5H2,(H,9,10)
InChIKey
IVBZSUBRWYWQBP-UHFFFAOYSA-N
Compound name
2,2-dioxo-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.04562 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05290 144.3
[M+Na]+ 227.03484 150.6
[M+NH4]+ 222.07944 154.5
[M+K]+ 243.00878 145.0
[M-H]- 203.03834 142.9
[M+Na-2H]- 225.02029 147.5
[M]+ 204.04507 145.1
[M]- 204.04617 145.1
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.