CID 88439600

1818393-01-9

Structural Information

Molecular Formula
C4H8O5S
SMILES
COCC1COS(=O)(=O)O1
InChI
InChI=1S/C4H8O5S/c1-7-2-4-3-8-10(5,6)9-4/h4H,2-3H2,1H3
InChIKey
KYLPYQSZXXJJRE-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

168.00925 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.016526 125.5
[M+Na]+ 190.998468 135.1
[M-H]- 167.001974 131.1
[M+NH4]+ 186.043073 147.7
[M+K]+ 206.972408 137.5
[M+H-H2O]+ 151.006510 122.4
[M+HCOO]- 213.007451 144.1
[M+CH3COO]- 227.023101 170.5
[M+Na-2H]- 188.983916 132.0
[M]+ 168.00870142 131.4
[M]- 168.00979858 131.4
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