CID 312225

Diethyl (2-hydroxyethyl)phosphonate

Structural Information

Molecular Formula

C₆H₁₅O₄P

SMILES

CCOP(=O)(CCO)OCC

InChI

InChI=1S/C6H15O4P/c1-3-9-11(8,6-5-7)10-4-2/h7H,3-6H2,1-2H3

InChIKey

KXXHZVHYFQSELL-UHFFFAOYSA-N

Compound name

2-diethoxyphosphorylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 202
Patents: 182.0708 Da
Monoisotopic Mass: -0.5
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]+	183.07808	141.9
[M+Na]+	205.06002	148.8
[M-H]-	181.06352	139.6
[M+NH4]+	200.10462	161.9
[M+K]+	221.03396	149.1
[M+H-H2O]+	165.06806	135.3
[M+HCOO]-	227.06900	168.9
[M+CH3COO]-	241.08465	178.9
[M+Na-2H]-	203.04547	145.6
[M]+	182.07025	147.6
[M]-	182.07135	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe