CID 98446

7316-37-2

Structural Information

Molecular Formula

C₇H₁₅O₄P

SMILES

CCOP(=O)(CC1CO1)OCC

InChI

InChI=1S/C7H15O4P/c1-3-10-12(8,11-4-2)6-7-5-9-7/h7H,3-6H2,1-2H3

InChIKey

FUKXIMRHLZJUCG-UHFFFAOYSA-N

Compound name

2-(diethoxyphosphorylmethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 194.0708 Da
Monoisotopic Mass: -0.1
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]+	195.078076	146.2
[M+Na]+	217.060018	155.1
[M-H]-	193.063524	150.4
[M+NH4]+	212.104623	160.4
[M+K]+	233.033958	155.5
[M+H-H2O]+	177.068060	138.1
[M+HCOO]-	239.069001	173.3
[M+CH3COO]-	253.084651	186.2
[M+Na-2H]-	215.045466	151.3
[M]+	194.07025142	155.7
[M]-	194.07134858	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe