CID 15706973

3-hydroxy-4,4-dimethylcyclohexan-1-one

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC1(CCC(=O)CC1O)C

InChI

InChI=1S/C8H14O2/c1-8(2)4-3-6(9)5-7(8)10/h7,10H,3-5H2,1-2H3

InChIKey

ANGDHMYJDGPYCB-UHFFFAOYSA-N

Compound name

3-hydroxy-4,4-dimethylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 142.09938 Da
Monoisotopic Mass: 0.6
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]+	143.10666	130.0
[M+Na]+	165.08860	140.9
[M+NH4]+	160.13320	140.0
[M+K]+	181.06254	133.6
[M-H]-	141.09210	131.3
[M+Na-2H]-	163.07405	135.9
[M]+	142.09883	131.9
[M]-	142.09993	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe