CID 281204

Ethyl 3-(diethoxyphosphoryl)propanoate

Structural Information

Molecular Formula

C₉H₁₉O₅P

SMILES

CCOC(=O)CCP(=O)(OCC)OCC

InChI

InChI=1S/C9H19O5P/c1-4-12-9(10)7-8-15(11,13-5-2)14-6-3/h4-8H2,1-3H3

InChIKey

JMJWCUOIOKBVNQ-UHFFFAOYSA-N

Compound name

ethyl 3-diethoxyphosphorylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 454
Patents: 238.09702 Da
Monoisotopic Mass: 0.4
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]+	239.10430	155.5
[M+Na]+	261.08624	161.8
[M-H]-	237.08974	154.4
[M+NH4]+	256.13084	174.0
[M+K]+	277.06018	162.6
[M+H-H2O]+	221.09428	148.2
[M+HCOO]-	283.09522	182.6
[M+CH3COO]-	297.11087	191.9
[M+Na-2H]-	259.07169	157.4
[M]+	238.09647	164.4
[M]-	238.09757	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe