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 173.9
[M+Na]+ 325.17742 179.6
[M-H]- 301.18092 175.7
[M+NH4]+ 320.22202 188.8
[M+K]+ 341.15136 175.8
[M+H-H2O]+ 285.18546 167.6
[M+HCOO]- 347.18640 191.9
[M+CH3COO]- 361.20205 207.2
[M+Na-2H]- 323.16287 170.7
[M]+ 302.18765 177.0
[M]- 302.18875 177.0
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.