CID 12589506

Dimethyl cyclohexylphosphonate

Structural Information

Molecular Formula

C₈H₁₇O₃P

SMILES

COP(=O)(C1CCCCC1)OC

InChI

InChI=1S/C8H17O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3

InChIKey

OZOVYDFZXJIQPR-UHFFFAOYSA-N

Compound name

dimethoxyphosphorylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 192.09154 Da
Monoisotopic Mass: 1.3
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]+	193.09882	143.6
[M+Na]+	215.08076	148.5
[M-H]-	191.08426	145.2
[M+NH4]+	210.12536	163.5
[M+K]+	231.05470	148.7
[M+H-H2O]+	175.08880	136.1
[M+HCOO]-	237.08974	168.6
[M+CH3COO]-	251.10539	182.0
[M+Na-2H]-	213.06621	146.4
[M]+	192.09099	143.6
[M]-	192.09209	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe