CID 126619

6-hydroxy-2,4-hexadienol

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C(C=CC=CCO)O

InChI

InChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h1-4,7-8H,5-6H2

InChIKey

UALGDSCLDIEGCQ-UHFFFAOYSA-N

Compound name

hexa-2,4-diene-1,6-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 114.06808 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]+	115.07536	124.0
[M+Na]+	137.05730	133.6
[M+NH4]+	132.10190	131.0
[M+K]+	153.03124	128.1
[M-H]-	113.06080	122.0
[M+Na-2H]-	135.04275	126.7
[M]+	114.06753	124.4
[M]-	114.06863	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe