CID 121592

(((2-hydroxyethyl)imino)dimethylene)diphosphonic acid, tetraethyl ester

Structural Information

Molecular Formula

C₁₂H₂₉NO₇P₂

SMILES

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

InChI

InChI=1S/C12H29NO7P2/c1-5-17-21(15,18-6-2)11-13(9-10-14)12-22(16,19-7-3)20-8-4/h14H,5-12H2,1-4H3

InChIKey

AMXXNCJDNXZUSJ-UHFFFAOYSA-N

Compound name

2-[bis(diethoxyphosphorylmethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 361.14194 Da
Monoisotopic Mass: -0.3
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]+	362.149216	193.0
[M+Na]+	384.131158	199.0
[M-H]-	360.134664	191.7
[M+NH4]+	379.175763	198.7
[M+K]+	400.105098	190.1
[M+H-H2O]+	344.139200	178.0
[M+HCOO]-	406.140141	210.5
[M+CH3COO]-	420.155791	218.4
[M+Na-2H]-	382.116606	180.5
[M]+	361.14139142	191.0
[M]-	361.14248858	191.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe