CID 101115

2,6,6-trimethyl-2-hydroxycyclohexanone

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CC1(CCCC(C1=O)(C)O)C

InChI

InChI=1S/C9H16O2/c1-8(2)5-4-6-9(3,11)7(8)10/h11H,4-6H2,1-3H3

InChIKey

FWCGLHYHGUHPRY-UHFFFAOYSA-N

Compound name

2-hydroxy-2,6,6-trimethylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 111
Patents: 156.11504 Da
Monoisotopic Mass: 1.3
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]+	157.12232	133.7
[M+Na]+	179.10426	144.5
[M+NH4]+	174.14886	144.9
[M+K]+	195.07820	135.4
[M-H]-	155.10776	134.9
[M+Na-2H]-	177.08971	141.0
[M]+	156.11449	135.8
[M]-	156.11559	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe