CID 5366044

Geranyl phenylacetate

Structural Information

Molecular Formula
C18H24O2
SMILES
CC(=CCC/C(=C/COC(=O)CC1=CC=CC=C1)/C)C
InChI
InChI=1S/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12+
InChIKey
UXAIJXIHZDZMSK-FOWTUZBSSA-N
Compound name
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

2463
Patents

272.17764 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.184916 169.3
[M+Na]+ 295.166858 173.2
[M-H]- 271.170364 171.7
[M+NH4]+ 290.211463 185.4
[M+K]+ 311.140798 169.8
[M+H-H2O]+ 255.174900 162.3
[M+HCOO]- 317.175841 189.0
[M+CH3COO]- 331.191491 200.4
[M+Na-2H]- 293.152306 169.0
[M]+ 272.17709142 171.2
[M]- 272.17818858 171.2
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