CID 91338

Alpha,3,3-trimethylcyclohexanemethanol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CC(C1CCCC(C1)(C)C)O

InChI

InChI=1S/C10H20O/c1-8(11)9-5-4-6-10(2,3)7-9/h8-9,11H,4-7H2,1-3H3

InChIKey

BVUYQSFBRKUJNK-UHFFFAOYSA-N

Compound name

1-(3,3-dimethylcyclohexyl)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 176
Patents: 156.15141 Da
Monoisotopic Mass: 3.0
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]+	157.15869	137.1
[M+Na]+	179.14063	142.2
[M-H]-	155.14413	138.9
[M+NH4]+	174.18523	159.6
[M+K]+	195.11457	141.2
[M+H-H2O]+	139.14867	133.0
[M+HCOO]-	201.14961	154.7
[M+CH3COO]-	215.16526	176.4
[M+Na-2H]-	177.12608	140.6
[M]+	156.15086	132.7
[M]-	156.15196	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe