CID 230351

Cyclohexane-1,3,5-triol

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

C1C(CC(CC1O)O)O

InChI

InChI=1S/C6H12O3/c7-4-1-5(8)3-6(9)2-4/h4-9H,1-3H2

InChIKey

FSDSKERRNURGGO-UHFFFAOYSA-N

Compound name

cyclohexane-1,3,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 6314
Patents: 132.07864 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]+	133.08592	125.5
[M+Na]+	155.06786	135.0
[M+NH4]+	150.11246	133.2
[M+K]+	171.04180	131.1
[M-H]-	131.07136	125.4
[M+Na-2H]-	153.05331	128.7
[M]+	132.07809	126.4
[M]-	132.07919	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe