CID 250285

Diethyl (2-aminopropan-2-yl)phosphonate

Structural Information

Molecular Formula

C₇H₁₈NO₃P

SMILES

CCOP(=O)(C(C)(C)N)OCC

InChI

InChI=1S/C7H18NO3P/c1-5-10-12(9,11-6-2)7(3,4)8/h5-6,8H2,1-4H3

InChIKey

PMMYNQBSYRNMOU-UHFFFAOYSA-N

Compound name

2-diethoxyphosphorylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 195.10243 Da
Monoisotopic Mass: 0.0
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]+	196.10971	147.6
[M+Na]+	218.09165	154.1
[M-H]-	194.09515	146.3
[M+NH4]+	213.13625	167.3
[M+K]+	234.06559	154.6
[M+H-H2O]+	178.09969	141.0
[M+HCOO]-	240.10063	174.3
[M+CH3COO]-	254.11628	187.2
[M+Na-2H]-	216.07710	151.5
[M]+	195.10188	151.7
[M]-	195.10298	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe