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 134.8
[M+Na]+ 217.01411 143.6
[M-H]- 193.01761 137.5
[M+NH4]+ 212.05871 159.5
[M+K]+ 232.98805 142.9
[M+H-H2O]+ 177.02215 132.5
[M+HCOO]- 239.02309 151.8
[M+CH3COO]- 253.03874 173.5
[M+Na-2H]- 214.99956 138.6
[M]+ 194.02434 137.8
[M]- 194.02544 137.8
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.