CID 11075336

Diethyl (2-oxocyclohexyl)phosphonate

Structural Information

Molecular Formula

C₁₀H₁₉O₄P

SMILES

CCOP(=O)(C1CCCCC1=O)OCC

InChI

InChI=1S/C10H19O4P/c1-3-13-15(12,14-4-2)10-8-6-5-7-9(10)11/h10H,3-8H2,1-2H3

InChIKey

LCPPKUNUSIZGQC-UHFFFAOYSA-N

Compound name

2-diethoxyphosphorylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.1021 Da
Monoisotopic Mass: 0.9
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]+	235.10938	153.0
[M+Na]+	257.09132	158.1
[M-H]-	233.09482	154.5
[M+NH4]+	252.13592	171.3
[M+K]+	273.06526	157.8
[M+H-H2O]+	217.09936	145.2
[M+HCOO]-	279.10030	177.7
[M+CH3COO]-	293.11595	190.4
[M+Na-2H]-	255.07677	154.4
[M]+	234.10155	154.9
[M]-	234.10265	154.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.