CID 112457

4-isopropyl-2,2,5,5-tetramethyl-1,3-dioxane

Structural Information

Molecular Formula

C₁₁H₂₂O₂

SMILES

CC(C)C1C(COC(O1)(C)C)(C)C

InChI

InChI=1S/C11H22O2/c1-8(2)9-10(3,4)7-12-11(5,6)13-9/h8-9H,7H2,1-6H3

InChIKey

WVYKHQRCBWWGFK-UHFFFAOYSA-N

Compound name

2,2,5,5-tetramethyl-4-propan-2-yl-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 96
Patents: 186.16199 Da
Monoisotopic Mass: 3.0
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]+	187.16927	141.8
[M+Na]+	209.15121	153.1
[M+NH4]+	204.19581	153.0
[M+K]+	225.12515	144.9
[M-H]-	185.15471	146.2
[M+Na-2H]-	207.13666	148.2
[M]+	186.16144	145.1
[M]-	186.16254	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe