CID 1254

Menthol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CC1CCC(C(C1)O)C(C)C

InChI

InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3

InChIKey

NOOLISFMXDJSKH-UHFFFAOYSA-N

Compound name

5-methyl-2-propan-2-ylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 3366
References: 127729
Patents: 156.15141 Da
Monoisotopic Mass: 3.0
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]+	157.158686	137.1
[M+Na]+	179.140628	142.2
[M-H]-	155.144134	138.9
[M+NH4]+	174.185233	157.8
[M+K]+	195.114568	140.9
[M+H-H2O]+	139.148670	132.3
[M+HCOO]-	201.149611	154.7
[M+CH3COO]-	215.165261	178.0
[M+Na-2H]-	177.126076	138.7
[M]+	156.15086142	132.7
[M]-	156.15195858	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe