CID 123926231

(1-methoxy-4-methylcyclohexyl)methanol

Structural Information

Molecular Formula

C₉H₁₈O₂

SMILES

CC1CCC(CC1)(CO)OC

InChI

InChI=1S/C9H18O2/c1-8-3-5-9(7-10,11-2)6-4-8/h8,10H,3-7H2,1-2H3

InChIKey

MEHUAHWGBITCHA-UHFFFAOYSA-N

Compound name

(1-methoxy-4-methylcyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 158.13068 Da
Monoisotopic Mass: 1.3
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]+	159.13796	135.8
[M+Na]+	181.11990	146.1
[M+NH4]+	176.16450	145.8
[M+K]+	197.09384	138.4
[M-H]-	157.12340	137.2
[M+Na-2H]-	179.10535	141.7
[M]+	158.13013	137.6
[M]-	158.13123	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe