CID 175124

Alpha,beta,beta-trimethylcyclohexanepropanol

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CC(C(C)(C)CC1CCCCC1)O

InChI

InChI=1S/C12H24O/c1-10(13)12(2,3)9-11-7-5-4-6-8-11/h10-11,13H,4-9H2,1-3H3

InChIKey

OUINQRJSUSXKFQ-UHFFFAOYSA-N

Compound name

4-cyclohexyl-3,3-dimethylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 184.18271 Da
Monoisotopic Mass: 4.3
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]+	185.189986	146.9
[M+Na]+	207.171928	149.7
[M-H]-	183.175434	147.8
[M+NH4]+	202.216533	165.9
[M+K]+	223.145868	148.2
[M+H-H2O]+	167.179970	141.8
[M+HCOO]-	229.180911	162.2
[M+CH3COO]-	243.196561	182.1
[M+Na-2H]-	205.157376	149.4
[M]+	184.18216142	142.0
[M]-	184.18325858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.