CID 4583084

113187-28-3

Structural Information

Molecular Formula

C₉H₁₇O₅P

SMILES

CCOP(=O)(CC(=O)OCC=C)OCC

InChI

InChI=1S/C9H17O5P/c1-4-7-12-9(10)8-15(11,13-5-2)14-6-3/h4H,1,5-8H2,2-3H3

InChIKey

USZLAMOPIWNLPH-UHFFFAOYSA-N

Compound name

prop-2-enyl 2-diethoxyphosphorylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 236.08136 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.088636	153.6
[M+Na]+	259.070578	160.1
[M-H]-	235.074084	152.5
[M+NH4]+	254.115183	172.0
[M+K]+	275.044518	160.4
[M+H-H2O]+	219.078620	146.4
[M+HCOO]-	281.079561	180.9
[M+CH3COO]-	295.095211	190.9
[M+Na-2H]-	257.056026	155.6
[M]+	236.08081142	161.8
[M]-	236.08190858	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe