CID 122520

29712-30-9

Structural Information

Molecular Formula

C₃H₁₁NO₆P₂

SMILES

CN(C)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C3H11NO6P2/c1-4(2)3(11(5,6)7)12(8,9)10/h3H,1-2H3,(H2,5,6,7)(H2,8,9,10)

InChIKey

BFDMEODWJJUORJ-UHFFFAOYSA-N

Compound name

[dimethylamino(phosphono)methyl]phosphonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 826
Patents: 219.00616 Da
Monoisotopic Mass: -5.4
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]+	220.01344	145.7
[M+Na]+	241.99538	149.1
[M+NH4]+	237.03998	148.0
[M+K]+	257.96932	151.4
[M-H]-	217.99888	138.8
[M+Na-2H]-	239.98083	143.4
[M]+	219.00561	143.3
[M]-	219.00671	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe