CID 14236605

2-(3,7-dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone

Structural Information

Molecular Formula
C19H26O3
SMILES
CC(=CCC/C(=C/CC1=C(C(=CC(=C1)O)OC)C(=O)C)/C)C
InChI
InChI=1S/C19H26O3/c1-13(2)7-6-8-14(3)9-10-16-11-17(21)12-18(22-5)19(16)15(4)20/h7,9,11-12,21H,6,8,10H2,1-5H3/b14-9+
InChIKey
JUCDMGAOGQOSAG-NTEUORMPSA-N
Compound name
1-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-6-methoxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1882 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19548 175.4
[M+Na]+ 325.17742 185.7
[M+NH4]+ 320.22202 180.8
[M+K]+ 341.15136 179.9
[M-H]- 301.18092 175.2
[M+Na-2H]- 323.16287 177.6
[M]+ 302.18765 176.5
[M]- 302.18875 176.5
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

No patent data available for this compound.