CID 13869

1005-93-2

Structural Information

Molecular Formula

C₆H₁₁O₄P

SMILES

CCC12COP(=O)(OC1)OC2

InChI

InChI=1S/C6H11O4P/c1-2-6-3-8-11(7,9-4-6)10-5-6/h2-5H2,1H3

InChIKey

BYEFHDZWRALTEN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 20
References: 228
Patents: 178.03949 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]+	179.04677	137.4
[M+Na]+	201.02871	147.2
[M+NH4]+	196.07331	149.7
[M+K]+	217.00265	138.9
[M-H]-	177.03221	138.3
[M+Na-2H]-	199.01416	136.4
[M]+	178.03894	139.2
[M]-	178.04004	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe