CID 107204

1,3-cyclohexanedimethanol

Structural Information

Molecular Formula

C₈H₁₆O₂

SMILES

C1CC(CC(C1)CO)CO

InChI

InChI=1S/C8H16O2/c9-5-7-2-1-3-8(4-7)6-10/h7-10H,1-6H2

InChIKey

LUSFFPXRDZKBMF-UHFFFAOYSA-N

Compound name

[3-(hydroxymethyl)cyclohexyl]methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 21753
Patents: 144.11504 Da
Monoisotopic Mass: 0.8
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]+	145.12232	131.5
[M+Na]+	167.10426	141.3
[M+NH4]+	162.14886	139.9
[M+K]+	183.07820	135.8
[M-H]-	143.10776	132.4
[M+Na-2H]-	165.08971	135.5
[M]+	144.11449	132.9
[M]-	144.11559	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe