CID 15004795

(3-methylcyclohexyl)methanol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CC1CCCC(C1)CO

InChI

InChI=1S/C8H16O/c1-7-3-2-4-8(5-7)6-9/h7-9H,2-6H2,1H3

InChIKey

KGSNUSZZYWSOFK-UHFFFAOYSA-N

Compound name

(3-methylcyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 128.12012 Da
Monoisotopic Mass: 2.2
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]+	129.12740	128.1
[M+Na]+	151.10934	138.9
[M+NH4]+	146.15394	137.5
[M+K]+	167.08328	132.6
[M-H]-	127.11284	130.1
[M+Na-2H]-	149.09479	133.2
[M]+	128.11957	130.0
[M]-	128.12067	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe