CID 107155

Triethyl 2-phosphonopropionate

Structural Information

Molecular Formula

C₉H₁₉O₅P

SMILES

CCOC(=O)C(C)P(=O)(OCC)OCC

InChI

InChI=1S/C9H19O5P/c1-5-12-9(10)8(4)15(11,13-6-2)14-7-3/h8H,5-7H2,1-4H3

InChIKey

BVSRWCMAJISCTD-UHFFFAOYSA-N

Compound name

ethyl 2-diethoxyphosphorylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2414
Patents: 238.09702 Da
Monoisotopic Mass: 0.9
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	155.2
[M+Na]+	261.08624	161.3
[M-H]-	237.08974	154.2
[M+NH4]+	256.13084	173.6
[M+K]+	277.06018	162.6
[M+H-H2O]+	221.09428	148.1
[M+HCOO]-	283.09522	181.4
[M+CH3COO]-	297.11087	192.7
[M+Na-2H]-	259.07169	156.0
[M]+	238.09647	163.5
[M]-	238.09757	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe