CID 145913610

2377036-30-9

Structural Information

Molecular Formula
C6H8O4S
SMILES
C1C2CC1(CS2(=O)=O)C(=O)O
InChI
InChI=1S/C6H8O4S/c7-5(8)6-1-4(2-6)11(9,10)3-6/h4H,1-3H2,(H,7,8)
InChIKey
XKCWAUKEPHYEPM-UHFFFAOYSA-N
Compound name
2,2-dioxo-2lambda6-thiabicyclo[2.1.1]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.01433 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02161 131.1
[M+Na]+ 199.00355 132.9
[M+NH4]+ 194.04815 138.2
[M+K]+ 214.97749 129.8
[M-H]- 175.00705 124.2
[M+Na-2H]- 196.98900 128.6
[M]+ 176.01378 128.5
[M]- 176.01488 128.5
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.