CID 136735

4,4-dimethylcyclohexanol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CC1(CCC(CC1)O)C

InChI

InChI=1S/C8H16O/c1-8(2)5-3-7(9)4-6-8/h7,9H,3-6H2,1-2H3

InChIKey

VUQOIZPFYIVUKD-UHFFFAOYSA-N

Compound name

4,4-dimethylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 468
Patents: 128.12012 Da
Monoisotopic Mass: 2.0
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]+	129.12740	128.3
[M+Na]+	151.10934	139.3
[M+NH4]+	146.15394	139.1
[M+K]+	167.08328	131.3
[M-H]-	127.11284	130.3
[M+Na-2H]-	149.09479	135.0
[M]+	128.11957	130.5
[M]-	128.12067	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe