CID 586633

Diethyl (propan-2-yl)phosphonate

Structural Information

Molecular Formula

C₇H₁₇O₃P

SMILES

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

InChI

InChI=1S/C7H17O3P/c1-5-9-11(8,7(3)4)10-6-2/h7H,5-6H2,1-4H3

InChIKey

PPMDSXRMQXBCJW-UHFFFAOYSA-N

Compound name

2-diethoxyphosphorylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 180.09154 Da
Monoisotopic Mass: 1.0
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]+	181.09882	142.9
[M+Na]+	203.08076	149.8
[M-H]-	179.08426	142.1
[M+NH4]+	198.12536	163.8
[M+K]+	219.05470	150.7
[M+H-H2O]+	163.08880	136.3
[M+HCOO]-	225.08974	169.9
[M+CH3COO]-	239.10539	183.4
[M+Na-2H]-	201.06621	145.4
[M]+	180.09099	148.9
[M]-	180.09209	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe