CID 144413

2,6-dimethyl-cyclohexanemethanol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC1CCCC(C1CO)C

InChI

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

InChIKey

PYXCSABYHVRYEK-UHFFFAOYSA-N

Compound name

(2,6-dimethylcyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 142.13577 Da
Monoisotopic Mass: 2.8
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	132.4
[M+Na]+	165.12499	138.2
[M-H]-	141.12849	134.3
[M+NH4]+	160.16959	153.7
[M+K]+	181.09893	136.7
[M+H-H2O]+	125.13303	127.7
[M+HCOO]-	187.13397	151.3
[M+CH3COO]-	201.14962	174.1
[M+Na-2H]-	163.11044	135.8
[M]+	142.13522	128.3
[M]-	142.13632	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe