CID 68985354

Geranyl cinnamate

Structural Information

Molecular Formula

C₁₉H₂₄O₂

SMILES

CC(=CCC/C(=C/COC(=O)C=CC1=CC=CC=C1)/C)C

InChI

InChI=1S/C19H24O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-14H,7,9,15H2,1-3H3/b13-12?,17-14+

InChIKey

JCWXWRIQSPDSKY-DEYBFMANSA-N

Compound name

[(2E)-3,7-dimethylocta-2,6-dienyl] 3-phenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 284.17764 Da
Monoisotopic Mass: 5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.18492	172.6
[M+Na]+	307.16686	176.4
[M-H]-	283.17036	174.8
[M+NH4]+	302.21146	188.1
[M+K]+	323.14080	172.1
[M+H-H2O]+	267.17490	165.5
[M+HCOO]-	329.17584	192.1
[M+CH3COO]-	343.19149	201.9
[M+Na-2H]-	305.15231	171.7
[M]+	284.17709	174.0
[M]-	284.17819	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe