CID 6439279

O-geranylconiferyl alcohol

Structural Information

Molecular Formula
C20H28O3
SMILES
CC(=CCC/C(=C/COC1=C(C=C(C=C1)/C=C/CO)OC)/C)C
InChI
InChI=1S/C20H28O3/c1-16(2)7-5-8-17(3)12-14-23-19-11-10-18(9-6-13-21)15-20(19)22-4/h6-7,9-12,15,21H,5,8,13-14H2,1-4H3/b9-6+,17-12+
InChIKey
UJQXYSRVSXKEES-YIERNNEGSA-N
Compound name
(E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

316.20386 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21114 180.3
[M+Na]+ 339.19308 184.9
[M-H]- 315.19658 181.5
[M+NH4]+ 334.23768 194.5
[M+K]+ 355.16702 180.3
[M+H-H2O]+ 299.20112 173.3
[M+HCOO]- 361.20206 199.0
[M+CH3COO]- 375.21771 207.3
[M+Na-2H]- 337.17853 178.3
[M]+ 316.20331 183.8
[M]- 316.20441 183.8
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.