CID 102867

Succinate malaoxon

Structural Information

Molecular Formula
C12H23O7PS
SMILES
CCC(=O)OCC(OC(=O)CC)SP(=O)(OCC)OCC
InChI
InChI=1S/C12H23O7PS/c1-5-10(13)16-9-12(19-11(14)6-2)21-20(15,17-7-3)18-8-4/h12H,5-9H2,1-4H3
InChIKey
KXHGKMZVYXFCAB-UHFFFAOYSA-N
Compound name
(2-diethoxyphosphorylsulfanyl-2-propanoyloxyethyl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.0902 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09748 176.7
[M+Na]+ 365.07942 180.9
[M+NH4]+ 360.12402 200.5
[M+K]+ 381.05336 178.0
[M-H]- 341.08292 171.0
[M+Na-2H]- 363.06487 174.2
[M]+ 342.08965 175.5
[M]- 342.09075 175.5
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.