CID 31463

22645-27-8

Structural Information

Molecular Formula

C₉H₁₈O₂

SMILES

CCC1COC(OC1)C(C)C

InChI

InChI=1S/C9H18O2/c1-4-8-5-10-9(7(2)3)11-6-8/h7-9H,4-6H2,1-3H3

InChIKey

LOVWNVWPXIBGIX-UHFFFAOYSA-N

Compound name

5-ethyl-2-propan-2-yl-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.13068 Da
Monoisotopic Mass: 2.3
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]+	159.13796	135.5
[M+Na]+	181.11990	146.6
[M+NH4]+	176.16450	144.2
[M+K]+	197.09384	141.8
[M-H]-	157.12340	139.9
[M+Na-2H]-	179.10535	139.2
[M]+	158.13013	138.3
[M]-	158.13123	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.