CID 65391478

(1s)-1-(4,4-dimethylcyclohexyl)ethan-1-ol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

C[C@@H](C1CCC(CC1)(C)C)O

InChI

InChI=1S/C10H20O/c1-8(11)9-4-6-10(2,3)7-5-9/h8-9,11H,4-7H2,1-3H3/t8-/m0/s1

InChIKey

NGXBBGBKSFZOCF-QMMMGPOBSA-N

Compound name

(1S)-1-(4,4-dimethylcyclohexyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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]+	157.158686	137.1
[M+Na]+	179.140628	142.2
[M-H]-	155.144134	138.9
[M+NH4]+	174.185233	159.6
[M+K]+	195.114568	141.2
[M+H-H2O]+	139.148670	133.0
[M+HCOO]-	201.149611	154.7
[M+CH3COO]-	215.165261	176.4
[M+Na-2H]-	177.126076	140.6
[M]+	156.15086142	132.7
[M]-	156.15195858	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe