CID 5354581

General chemicals 3661

Structural Information

Molecular Formula
C11H19O8P
SMILES
CCOP(=O)(OCC)O/C(=C\C(=O)OC)/CC(=O)OC
InChI
InChI=1S/C11H19O8P/c1-5-17-20(14,18-6-2)19-9(7-10(12)15-3)8-11(13)16-4/h7H,5-6,8H2,1-4H3/b9-7-
InChIKey
YGFYXQXOXCSYJW-CLFYSBASSA-N
Compound name
dimethyl (Z)-3-diethoxyphosphoryloxypent-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08176 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08904 166.3
[M+Na]+ 333.07098 171.6
[M-H]- 309.07448 175.6
[M+NH4]+ 328.11558 184.6
[M+K]+ 349.04492 173.7
[M+H-H2O]+ 293.07902 158.6
[M+HCOO]- 355.07996 191.1
[M+CH3COO]- 369.09561 202.5
[M+Na-2H]- 331.05643 166.1
[M]+ 310.08121 176.4
[M]- 310.08231 176.4
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

No patent data available for this compound.