CID 146082096

6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one

Structural Information

Molecular Formula

C₁₂H₂₀O₃

SMILES

CC1(CC(=O)C(C2(C1)OCCO2)(C)C)C

InChI

InChI=1S/C12H20O3/c1-10(2)7-9(13)11(3,4)12(8-10)14-5-6-15-12/h5-8H2,1-4H3

InChIKey

ZWHMIFVMZUZJAU-UHFFFAOYSA-N

Compound name

6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.14125 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]+	213.148526	141.9
[M+Na]+	235.130468	150.1
[M-H]-	211.133974	149.1
[M+NH4]+	230.175073	166.4
[M+K]+	251.104408	151.1
[M+H-H2O]+	195.138510	139.0
[M+HCOO]-	257.139451	159.5
[M+CH3COO]-	271.155101	185.1
[M+Na-2H]-	233.115916	149.0
[M]+	212.14070142	141.7
[M]-	212.14179858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.