CID 3016625

2-(hydroxymethyl)menthol

Structural Information

Molecular Formula

C₁₁H₂₂O₂

SMILES

CC1CCC(C(C1CO)O)C(C)C

InChI

InChI=1S/C11H22O2/c1-7(2)9-5-4-8(3)10(6-12)11(9)13/h7-13H,4-6H2,1-3H3

InChIKey

UCRUTNJGISGZMY-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 186.16199 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]+	187.169266	144.9
[M+Na]+	209.151208	150.1
[M-H]-	185.154714	145.4
[M+NH4]+	204.195813	164.0
[M+K]+	225.125148	148.2
[M+H-H2O]+	169.159250	140.3
[M+HCOO]-	231.160191	160.8
[M+CH3COO]-	245.175841	181.7
[M+Na-2H]-	207.136656	144.8
[M]+	186.16144142	140.9
[M]-	186.16253858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe