CID 137928704

2260930-73-0

Structural Information

Molecular Formula
C8H12O4S
SMILES
C1CC2(CCS(=O)(=O)C1C2)C(=O)O
InChI
InChI=1S/C8H12O4S/c9-7(10)8-2-1-6(5-8)13(11,12)4-3-8/h6H,1-5H2,(H,9,10)
InChIKey
JEMOPDCSORUXMP-UHFFFAOYSA-N
Compound name
2,2-dioxo-2lambda6-thiabicyclo[3.2.1]octane-5-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 140.4
[M+Na]+ 227.03484 148.5
[M-H]- 203.03834 141.8
[M+NH4]+ 222.07944 166.3
[M+K]+ 243.00878 146.4
[M+H-H2O]+ 187.04288 138.1
[M+HCOO]- 249.04382 153.3
[M+CH3COO]- 263.05947 176.8
[M+Na-2H]- 225.02029 145.3
[M]+ 204.04507 140.9
[M]- 204.04617 140.9
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.