CID 22833510

Schembl29445344

Structural Information

Molecular Formula

C₅H₁₄NO₆P

SMILES

C(CO)N(CC(CO)O)P(=O)(O)O

InChI

InChI=1S/C5H14NO6P/c7-2-1-6(13(10,11)12)3-5(9)4-8/h5,7-9H,1-4H2,(H2,10,11,12)

InChIKey

FRMZOWIQVCBEAC-UHFFFAOYSA-N

Compound name

[2,3-dihydroxypropyl(2-hydroxyethyl)amino]phosphonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 116
Patents: 215.05588 Da
Monoisotopic Mass: -3.4
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]+	216.06316	147.4
[M+Na]+	238.04510	151.5
[M-H]-	214.04860	140.8
[M+NH4]+	233.08970	162.9
[M+K]+	254.01904	151.6
[M+H-H2O]+	198.05314	140.4
[M+HCOO]-	260.05408	169.4
[M+CH3COO]-	274.06973	179.9
[M+Na-2H]-	236.03055	148.1
[M]+	215.05533	147.3
[M]-	215.05643	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe