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

literature stripe

Patent stripe

patents stripe