CID 31467

22645-38-1

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CCCC1(COC(OC1)C)COC

InChI

InChI=1S/C10H20O3/c1-4-5-10(6-11-3)7-12-9(2)13-8-10/h9H,4-8H2,1-3H3

InChIKey

GSOKQVFYZFPRHY-UHFFFAOYSA-N

Compound name

5-(methoxymethyl)-2-methyl-5-propyl-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.14125 Da
Monoisotopic Mass: 1.6
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]+	189.14853	142.1
[M+Na]+	211.13047	147.9
[M-H]-	187.13397	146.4
[M+NH4]+	206.17507	161.3
[M+K]+	227.10441	150.2
[M+H-H2O]+	171.13851	137.1
[M+HCOO]-	233.13945	160.8
[M+CH3COO]-	247.15510	182.3
[M+Na-2H]-	209.11592	149.4
[M]+	188.14070	144.4
[M]-	188.14180	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.