CID 29959

3-(dimethylphosphono)-n-methylolpropionamide

Structural Information

Molecular Formula

C₆H₁₄NO₅P

SMILES

COP(=O)(CCC(=O)NCO)OC

InChI

InChI=1S/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9)

InChIKey

MCONGYNHPPCHSD-UHFFFAOYSA-N

Compound name

3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 497
Patents: 211.06096 Da
Monoisotopic Mass: -1.9
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]+	212.06824	145.6
[M+Na]+	234.05018	151.6
[M+NH4]+	229.09478	149.7
[M+K]+	250.02412	149.9
[M-H]-	210.05368	141.4
[M+Na-2H]-	232.03563	145.7
[M]+	211.06041	144.6
[M]-	211.06151	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe