CID 18821

5,5-diethyl-1,3-dioxane

Structural Information

Molecular Formula

C₈H₁₆O₂

SMILES

CCC1(COCOC1)CC

InChI

InChI=1S/C8H16O2/c1-3-8(4-2)5-9-7-10-6-8/h3-7H2,1-2H3

InChIKey

PXZBONIIVQBUBP-UHFFFAOYSA-N

Compound name

5,5-diethyl-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 144.11504 Da
Monoisotopic Mass: 1.7
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]+	145.12232	131.1
[M+Na]+	167.10426	142.5
[M+NH4]+	162.14886	141.4
[M+K]+	183.07820	135.2
[M-H]-	143.10776	135.7
[M+Na-2H]-	165.08971	137.2
[M]+	144.11449	134.2
[M]-	144.11559	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe