CID 364161

Nsc629861

Structural Information

Molecular Formula

C₉H₁₇O₅P

SMILES

CCOP(=O)(C1CC(OC1=O)C)OCC

InChI

InChI=1S/C9H17O5P/c1-4-12-15(11,13-5-2)8-6-7(3)14-9(8)10/h7-8H,4-6H2,1-3H3

InChIKey

OMDRJFRRFUFZOJ-UHFFFAOYSA-N

Compound name

3-diethoxyphosphoryl-5-methyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.08136 Da
Monoisotopic Mass: 0.7
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	150.9
[M+Na]+	259.070578	158.1
[M-H]-	235.074084	153.9
[M+NH4]+	254.115183	170.0
[M+K]+	275.044518	159.4
[M+H-H2O]+	219.078620	144.2
[M+HCOO]-	281.079561	177.4
[M+CH3COO]-	295.095211	190.3
[M+Na-2H]-	257.056026	152.7
[M]+	236.08081142	156.8
[M]-	236.08190858	156.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.