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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 121.2
[M+Na]+ 135.04165 129.1
[M-H]- 111.04515 120.2
[M+NH4]+ 130.08625 143.4
[M+K]+ 151.01559 127.1
[M+H-H2O]+ 95.049690 117.2
[M+HCOO]- 157.05063 144.6
[M+CH3COO]- 171.06628 164.3
[M+Na-2H]- 133.02710 127.9
[M]+ 112.05188 121.2
[M]- 112.05298 121.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe