CID 512109

Phosphinecarboxylic acid, dimethoxy-, cyclohexyl ester, oxide

Structural Information

Molecular Formula

C₉H₁₇O₅P

SMILES

COP(=O)(C(=O)OC1CCCCC1)OC

InChI

InChI=1S/C9H17O5P/c1-12-15(11,13-2)9(10)14-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3

InChIKey

ZCIOCIWGLSMXNS-UHFFFAOYSA-N

Compound name

cyclohexyl dimethoxyphosphorylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 236.08136 Da
Monoisotopic Mass: 1.5
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]+	237.088636	151.3
[M+Na]+	259.070578	155.6
[M-H]-	235.074084	152.7
[M+NH4]+	254.115183	169.1
[M+K]+	275.044518	156.6
[M+H-H2O]+	219.078620	143.4
[M+HCOO]-	281.079561	175.6
[M+CH3COO]-	295.095211	188.4
[M+Na-2H]-	257.056026	152.9
[M]+	236.08081142	153.2
[M]-	236.08190858	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe