CID 17722

2781-11-5

Structural Information

Molecular Formula

C₉H₂₂NO₅P

SMILES

CCOP(=O)(CN(CCO)CCO)OCC

InChI

InChI=1S/C9H22NO5P/c1-3-14-16(13,15-4-2)9-10(5-7-11)6-8-12/h11-12H,3-9H2,1-2H3

InChIKey

CCJKFLLIJCGHMO-UHFFFAOYSA-N

Compound name

2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1678
Patents: 255.12357 Da
Monoisotopic Mass: -1.0
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]+	256.13085	159.2
[M+Na]+	278.11279	164.4
[M+NH4]+	273.15739	163.0
[M+K]+	294.08673	162.2
[M-H]-	254.11629	155.1
[M+Na-2H]-	276.09824	158.7
[M]+	255.12302	158.1
[M]-	255.12412	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe