CID 232219

5,5-diethyl-2-phenyl-1,3-dioxane

Structural Information

Molecular Formula

C₁₄H₂₀O₂

SMILES

CCC1(COC(OC1)C2=CC=CC=C2)CC

InChI

InChI=1S/C14H20O2/c1-3-14(4-2)10-15-13(16-11-14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3

InChIKey

YGWYPRIDROYZLZ-UHFFFAOYSA-N

Compound name

5,5-diethyl-2-phenyl-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 220.14633 Da
Monoisotopic Mass: 3.2
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]+	221.15361	150.9
[M+Na]+	243.13555	164.5
[M+NH4]+	238.18015	161.6
[M+K]+	259.10949	155.5
[M-H]-	219.13905	158.2
[M+Na-2H]-	241.12100	159.5
[M]+	220.14578	155.3
[M]-	220.14688	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe