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 161.4
[M+Na]+ 295.09408 169.0
[M-H]- 271.09758 162.3
[M+NH4]+ 290.13868 176.8
[M+K]+ 311.06802 163.3
[M+H-H2O]+ 255.10212 155.5
[M+HCOO]- 317.10306 181.5
[M+CH3COO]- 331.11871 193.8
[M+Na-2H]- 293.07953 161.8
[M]+ 272.10431 162.7
[M]- 272.10541 162.7
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.