CID 25238

Eugenyl phenylacetate

Structural Information

Molecular Formula
C18H18O3
SMILES
COC1=C(C=CC(=C1)CC=C)OC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-6,8-12H,1,7,13H2,2H3
InChIKey
JEEUACXJJPNYOL-UHFFFAOYSA-N
Compound name
(2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

253
Patents

282.12558 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13286 165.6
[M+Na]+ 305.11480 172.6
[M-H]- 281.11830 172.2
[M+NH4]+ 300.15940 181.3
[M+K]+ 321.08874 168.8
[M+H-H2O]+ 265.12284 157.6
[M+HCOO]- 327.12378 188.7
[M+CH3COO]- 341.13943 200.9
[M+Na-2H]- 303.10025 168.9
[M]+ 282.12503 169.1
[M]- 282.12613 169.1
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

patents stripe