CID 146672902

Chebi:155862

Structural Information

Molecular Formula
C16H16O4
SMILES
C/C=C/C=C/C=C/C(=O)CC1=C(C(=CC(=C1)O)O)C=O
InChI
InChI=1S/C16H16O4/c1-2-3-4-5-6-7-13(18)8-12-9-14(19)10-16(20)15(12)11-17/h2-7,9-11,19-20H,8H2,1H3/b3-2+,5-4+,7-6+
InChIKey
LITHMLBEDFFPOX-ICDJNDDTSA-N
Compound name
2,4-dihydroxy-6-[(3E,5E,7E)-2-oxonona-3,5,7-trienyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.10486 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 164.5
[M+Na]+ 295.09408 175.1
[M+NH4]+ 290.13868 169.0
[M+K]+ 311.06802 169.0
[M-H]- 271.09758 163.2
[M+Na-2H]- 293.07953 166.7
[M]+ 272.10431 165.2
[M]- 272.10541 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.