CID 5370599

Cinnamyl phenylacetate

Structural Information

Molecular Formula
C17H16O2
SMILES
C1=CC=C(C=C1)CC(=O)OC/C=C/C2=CC=CC=C2
InChI
InChI=1S/C17H16O2/c18-17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15/h1-12H,13-14H2/b12-7+
InChIKey
SFXQCOMMEMBETJ-KPKJPENVSA-N
Compound name
[(E)-3-phenylprop-2-enyl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

294
Patents

252.11504 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 159.9
[M+Na]+ 275.10426 174.1
[M+NH4]+ 270.14886 168.3
[M+K]+ 291.07820 165.2
[M-H]- 251.10776 164.3
[M+Na-2H]- 273.08971 169.4
[M]+ 252.11449 163.2
[M]- 252.11559 163.2
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