CID 4131038

Ethyl 2-(acetyloxy)-2-(diethyl phosphono)acetate

Structural Information

Molecular Formula
C10H19O7P
SMILES
CCOC(=O)C(OC(=O)C)P(=O)(OCC)OCC
InChI
InChI=1S/C10H19O7P/c1-5-14-9(12)10(17-8(4)11)18(13,15-6-2)16-7-3/h10H,5-7H2,1-4H3
InChIKey
QHQNXSICNKWLOC-UHFFFAOYSA-N
Compound name
ethyl 2-acetyloxy-2-diethoxyphosphorylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

282.08685 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09413 161.7
[M+Na]+ 305.07607 167.2
[M-H]- 281.07957 160.5
[M+NH4]+ 300.12067 177.5
[M+K]+ 321.05001 169.4
[M+H-H2O]+ 265.08411 154.2
[M+HCOO]- 327.08505 184.7
[M+CH3COO]- 341.10070 199.0
[M+Na-2H]- 303.06152 161.5
[M]+ 282.08630 171.8
[M]- 282.08740 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe