CID 76513

Diethyl (hydroxymethyl)phosphonate

Structural Information

Molecular Formula

C₅H₁₃O₄P

SMILES

CCOP(=O)(CO)OCC

InChI

InChI=1S/C5H13O4P/c1-3-8-10(7,5-6)9-4-2/h6H,3-5H2,1-2H3

InChIKey

RWIGWWBLTJLKMK-UHFFFAOYSA-N

Compound name

diethoxyphosphorylmethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1558
Patents: 168.05515 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]+	169.06243	137.1
[M+Na]+	191.04437	144.4
[M-H]-	167.04787	135.0
[M+NH4]+	186.08897	157.7
[M+K]+	207.01831	145.0
[M+H-H2O]+	151.05241	130.7
[M+HCOO]-	213.05335	164.4
[M+CH3COO]-	227.06900	175.9
[M+Na-2H]-	189.02982	141.4
[M]+	168.05460	142.4
[M]-	168.05570	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe