CID 69706

702-50-1

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

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

InChI

InChI=1S/C10H16O2/c1-9(2)5-7(11)10(3,4)8(12)6-9/h5-6H2,1-4H3

InChIKey

RMYOPLPHLGBSCY-UHFFFAOYSA-N

Compound name

2,2,5,5-tetramethylcyclohexane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 168.11504 Da
Monoisotopic Mass: 1.7
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]+	169.12232	136.1
[M+Na]+	191.10426	147.7
[M+NH4]+	186.14886	147.3
[M+K]+	207.07820	138.3
[M-H]-	167.10776	137.7
[M+Na-2H]-	189.08971	143.5
[M]+	168.11449	138.5
[M]-	168.11559	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe