CID 29677

Malonate malaoxon

Structural Information

Molecular Formula
C11H21O7PS
SMILES
CCOC(=O)C(C(=O)OCC)SP(=O)(OCC)OCC
InChI
InChI=1S/C11H21O7PS/c1-5-15-10(12)9(11(13)16-6-2)20-19(14,17-7-3)18-8-4/h9H,5-8H2,1-4H3
InChIKey
MGEGZTZZXITGDL-UHFFFAOYSA-N
Compound name
diethyl 2-diethoxyphosphorylsulfanylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.07455 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.08183 172.7
[M+Na]+ 351.06377 177.1
[M+NH4]+ 346.10837 175.4
[M+K]+ 367.03771 174.4
[M-H]- 327.06727 167.0
[M+Na-2H]- 349.04922 170.4
[M]+ 328.07400 171.5
[M]- 328.07510 171.5
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.