CID 109419

3,5-dimethylcyclohexanemethanol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC1CC(CC(C1)CO)C

InChI

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

InChIKey

GEVHTUNKMMCORO-UHFFFAOYSA-N

Compound name

(3,5-dimethylcyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 33
Patents: 142.13577 Da
Monoisotopic Mass: 2.4
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]+	143.143046	132.4
[M+Na]+	165.124988	138.2
[M-H]-	141.128494	134.3
[M+NH4]+	160.169593	153.7
[M+K]+	181.098928	136.7
[M+H-H2O]+	125.133030	127.7
[M+HCOO]-	187.133971	151.3
[M+CH3COO]-	201.149621	174.1
[M+Na-2H]-	163.110436	135.8
[M]+	142.13522142	128.3
[M]-	142.13631858	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe