CID 11162

1,4-cyclohexanediol

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

C1CC(CCC1O)O

InChI

InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2

InChIKey

VKONPUDBRVKQLM-UHFFFAOYSA-N

Compound name

cyclohexane-1,4-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 20
References: 77337
Patents: 116.08373 Da
Monoisotopic Mass: 0.2
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]+	117.09101	122.6
[M+Na]+	139.07295	132.8
[M+NH4]+	134.11755	131.3
[M+K]+	155.04689	127.8
[M-H]-	115.07645	123.6
[M+Na-2H]-	137.05840	127.1
[M]+	116.08318	124.1
[M]-	116.08428	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe