CID 5283315

6-hydroxy-2,4-hexadienal

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

C(/C=C/C=C/C=O)O

InChI

InChI=1S/C6H8O2/c7-5-3-1-2-4-6-8/h1-5,8H,6H2/b3-1+,4-2+

InChIKey

PCYZGEHNECVSCF-ZPUQHVIOSA-N

Compound name

(2E,4E)-6-hydroxyhexa-2,4-dienal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 112.05243 Da
Monoisotopic Mass: -0.1
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]+	113.059706	121.2
[M+Na]+	135.041648	129.1
[M-H]-	111.045154	120.2
[M+NH4]+	130.086253	143.4
[M+K]+	151.015588	127.1
[M+H-H2O]+	95.049690	117.2
[M+HCOO]-	157.050631	144.6
[M+CH3COO]-	171.066281	164.3
[M+Na-2H]-	133.027096	127.9
[M]+	112.05188142	121.2
[M]-	112.05297858	121.2

Literature stripe

literature stripe

Patent stripe

patents stripe