CID 5355858

Linalyl cinnamate

Structural Information

Molecular Formula
C19H24O2
SMILES
CC(=CCCC(C)(C=C)OC(=O)/C=C/C1=CC=CC=C1)C
InChI
InChI=1S/C19H24O2/c1-5-19(4,15-9-10-16(2)3)21-18(20)14-13-17-11-7-6-8-12-17/h5-8,10-14H,1,9,15H2,2-4H3/b14-13+
InChIKey
DPFUEXLIKDHJNB-BUHFOSPRSA-N
Compound name
3,7-dimethylocta-1,6-dien-3-yl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

299
Patents

284.17764 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18492 172.1
[M+Na]+ 307.16686 182.3
[M+NH4]+ 302.21146 178.0
[M+K]+ 323.14080 175.4
[M-H]- 283.17036 172.1
[M+Na-2H]- 305.15231 176.1
[M]+ 284.17709 173.4
[M]- 284.17819 173.4
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