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: 1078
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	147.0
[M+Na]+	241.99538	152.5
[M-H]-	217.99888	141.3
[M+NH4]+	237.03998	163.7
[M+K]+	257.96932	153.7
[M+H-H2O]+	202.00342	138.7
[M+HCOO]-	264.00436	174.8
[M+CH3COO]-	278.02001	183.0
[M+Na-2H]-	239.98083	148.2
[M]+	219.00561	148.3
[M]-	219.00671	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe