CID 5369459

Phenethyl cinnamate

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

12
References

2250
Patents

252.11504 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 159.0
[M+Na]+ 275.10426 164.7
[M-H]- 251.10776 165.0
[M+NH4]+ 270.14886 175.5
[M+K]+ 291.07820 160.5
[M+H-H2O]+ 235.11230 151.1
[M+HCOO]- 297.11324 182.3
[M+CH3COO]- 311.12889 193.0
[M+Na-2H]- 273.08971 164.2
[M]+ 252.11449 159.8
[M]- 252.11559 159.8
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