CID 73809747

(1r,2r,4r,8r)-p-menthane-2,8,9-triol

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CC1CCC(CC1O)C(C)(CO)O

InChI

InChI=1S/C10H20O3/c1-7-3-4-8(5-9(7)12)10(2,13)6-11/h7-9,11-13H,3-6H2,1-2H3

InChIKey

QOYJDVFOAJUXAR-UHFFFAOYSA-N

Compound name

2-(3-hydroxy-4-methylcyclohexyl)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 188.14125 Da
Monoisotopic Mass: 0.4
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]+	189.148526	144.2
[M+Na]+	211.130468	149.0
[M-H]-	187.133974	143.2
[M+NH4]+	206.175073	162.2
[M+K]+	227.104408	146.9
[M+H-H2O]+	171.138510	140.1
[M+HCOO]-	233.139451	158.6
[M+CH3COO]-	247.155101	176.6
[M+Na-2H]-	209.115916	146.9
[M]+	188.14070142	139.3
[M]-	188.14179858	139.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.