CID 12241254

58303-58-5

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC(C)CC1OCCC(O1)(C)C

InChI

InChI=1S/C10H20O2/c1-8(2)7-9-11-6-5-10(3,4)12-9/h8-9H,5-7H2,1-4H3

InChIKey

JKEZOTPYPOUIAK-UHFFFAOYSA-N

Compound name

4,4-dimethyl-2-(2-methylpropyl)-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 172.14633 Da
Monoisotopic Mass: 2.5
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]+	173.153606	139.4
[M+Na]+	195.135548	145.0
[M-H]-	171.139054	143.9
[M+NH4]+	190.180153	159.3
[M+K]+	211.109488	147.3
[M+H-H2O]+	155.143590	134.8
[M+HCOO]-	217.144531	156.9
[M+CH3COO]-	231.160181	181.1
[M+Na-2H]-	193.120996	145.4
[M]+	172.14578142	139.6
[M]-	172.14687858	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe