CID 21889008

N,n-dimethyl-2-phosphonoethanamine

Structural Information

Molecular Formula

C₄H₁₂NO₃P

SMILES

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

InChI

InChI=1S/C4H12NO3P/c1-4(5(2)3)9(6,7)8/h4H,1-3H3,(H2,6,7,8)

InChIKey

DALOYMBBEZWGND-UHFFFAOYSA-N

Compound name

1-(dimethylamino)ethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 153.05548 Da
Monoisotopic Mass: -3.3
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]+	154.06276	133.6
[M+Na]+	176.04470	140.1
[M-H]-	152.04820	131.9
[M+NH4]+	171.08930	154.3
[M+K]+	192.01864	141.3
[M+H-H2O]+	136.05274	127.3
[M+HCOO]-	198.05368	160.0
[M+CH3COO]-	212.06933	177.3
[M+Na-2H]-	174.03015	136.0
[M]+	153.05493	134.9
[M]-	153.05603	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe