CID 12368327

58941-08-5

Structural Information

Molecular Formula
C6H8O5S
SMILES
CC1=C(S(=O)(=O)CCO1)C(=O)O
InChI
InChI=1S/C6H8O5S/c1-4-5(6(7)8)12(9,10)3-2-11-4/h2-3H2,1H3,(H,7,8)
InChIKey
CADWMFXAOSMONN-UHFFFAOYSA-N
Compound name
6-methyl-4,4-dioxo-2,3-dihydro-1,4-oxathiine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

192.00925 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.01653 136.1
[M+Na]+ 214.99847 146.1
[M+NH4]+ 210.04307 144.0
[M+K]+ 230.97241 139.7
[M-H]- 191.00197 136.6
[M+Na-2H]- 212.98392 140.2
[M]+ 192.00870 138.0
[M]- 192.00980 138.0
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

patents stripe