CID 116769550

1603109-80-3

Structural Information

Molecular Formula
C6H10O5S
SMILES
COC1(CCS(=O)(=O)C1)C(=O)O
InChI
InChI=1S/C6H10O5S/c1-11-6(5(7)8)2-3-12(9,10)4-6/h2-4H2,1H3,(H,7,8)
InChIKey
UYGUSLSSJSXRSL-UHFFFAOYSA-N
Compound name
3-methoxy-1,1-dioxothiolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.02489 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03217 139.5
[M+Na]+ 217.01411 146.7
[M+NH4]+ 212.05871 148.5
[M+K]+ 232.98805 140.3
[M-H]- 193.01761 137.6
[M+Na-2H]- 214.99956 144.0
[M]+ 194.02434 140.3
[M]- 194.02544 140.3
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.