CID 3067949

4-ethyl-3-methyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane 1-oxide

Structural Information

Molecular Formula

C₇H₁₃O₄P

SMILES

CCC12COP(=O)(OC1)OC2C

InChI

InChI=1S/C7H13O4P/c1-3-7-4-9-12(8,10-5-7)11-6(7)2/h6H,3-5H2,1-2H3

InChIKey

SKMSLZJBMOEFJQ-UHFFFAOYSA-N

Compound name

4-ethyl-3-methyl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.05515 Da
Monoisotopic Mass: 0.5
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]+	193.062426	139.3
[M+Na]+	215.044368	146.3
[M-H]-	191.047874	137.7
[M+NH4]+	210.088973	163.8
[M+K]+	231.018308	149.2
[M+H-H2O]+	175.052410	132.7
[M+HCOO]-	237.053351	154.9
[M+CH3COO]-	251.069001	186.1
[M+Na-2H]-	213.029816	152.1
[M]+	192.05460142	146.4
[M]-	192.05569858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.