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 180.3
[M-H]- 341.08292 175.0
[M+NH4]+ 360.12402 196.7
[M+K]+ 381.05336 181.0
[M+H-H2O]+ 325.08746 168.0
[M+HCOO]- 387.08840 202.6
[M+CH3COO]- 401.10405 208.5
[M+Na-2H]- 363.06487 173.2
[M]+ 342.08965 189.1
[M]- 342.09075 189.1
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.