CID 31452

5-ethyl-5-(1-methoxyethyl)-2-methyl-1,3-dioxane

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CCC1(COC(OC1)C)C(C)OC

InChI

InChI=1S/C10H20O3/c1-5-10(8(2)11-4)6-12-9(3)13-7-10/h8-9H,5-7H2,1-4H3

InChIKey

BEOAGXKTCHJHLT-UHFFFAOYSA-N

Compound name

5-ethyl-5-(1-methoxyethyl)-2-methyl-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.14125 Da
Monoisotopic Mass: 1.5
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]+	189.148526	142.5
[M+Na]+	211.130468	148.0
[M-H]-	187.133974	146.9
[M+NH4]+	206.175073	161.7
[M+K]+	227.104408	150.8
[M+H-H2O]+	171.138510	137.7
[M+HCOO]-	233.139451	160.2
[M+CH3COO]-	247.155101	183.2
[M+Na-2H]-	209.115916	148.6
[M]+	188.14070142	144.2
[M]-	188.14179858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.