CID 8298

3,3,5-trimethylcyclohexanol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC1CC(CC(C1)(C)C)O

InChI

InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3

InChIKey

BRRVXFOKWJKTGG-UHFFFAOYSA-N

Compound name

3,3,5-trimethylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 12
References: 7528
Patents: 142.13577 Da
Monoisotopic Mass: 2.6
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]+	143.14305	131.9
[M+Na]+	165.12499	143.1
[M+NH4]+	160.16959	142.6
[M+K]+	181.09893	135.2
[M-H]-	141.12849	134.0
[M+Na-2H]-	163.11044	138.2
[M]+	142.13522	134.2
[M]-	142.13632	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe