CID 512110

Phosphinecarboxylic acid, dimethoxy-, cyclopentylmethyl ester, oxide

Structural Information

Molecular Formula

C₉H₁₇O₅P

SMILES

COP(=O)(C(=O)OCC1CCCC1)OC

InChI

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

InChIKey

JFIMJVVUALEVAC-UHFFFAOYSA-N

Compound name

cyclopentylmethyl dimethoxyphosphorylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
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]+	237.08864	152.4
[M+Na]+	259.07058	157.4
[M-H]-	235.07408	154.0
[M+NH4]+	254.11518	172.0
[M+K]+	275.04452	158.4
[M+H-H2O]+	219.07862	144.9
[M+HCOO]-	281.07956	178.7
[M+CH3COO]-	295.09521	188.0
[M+Na-2H]-	257.05603	153.0
[M]+	236.08081	156.2
[M]-	236.08191	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe