CID 3085213

Eugenyl isovalerate

Structural Information

Molecular Formula
C15H20O3
SMILES
CC(C)CC(=O)OC1=C(C=C(C=C1)CC=C)OC
InChI
InChI=1S/C15H20O3/c1-5-6-12-7-8-13(14(10-12)17-4)18-15(16)9-11(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3
InChIKey
PLUVLWUSXQCTNH-UHFFFAOYSA-N
Compound name
(2-methoxy-4-prop-2-enylphenyl) 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

83
Patents

248.14125 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 158.3
[M+Na]+ 271.13047 169.9
[M+NH4]+ 266.17507 165.1
[M+K]+ 287.10441 163.8
[M-H]- 247.13397 159.2
[M+Na-2H]- 269.11592 162.8
[M]+ 248.14070 160.1
[M]- 248.14180 160.1
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

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