CID 5320530

3-phenylpropyl cinnamate

Structural Information

Molecular Formula
C18H18O2
SMILES
C1=CC=C(C=C1)CCCOC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2/b14-13+
InChIKey
LYRAHIUDQRJGGZ-BUHFOSPRSA-N
Compound name
3-phenylpropyl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

168
Patents

266.13068 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 163.7
[M+Na]+ 289.11990 168.9
[M-H]- 265.12340 169.4
[M+NH4]+ 284.16450 179.6
[M+K]+ 305.09384 164.4
[M+H-H2O]+ 249.12794 155.5
[M+HCOO]- 311.12888 186.6
[M+CH3COO]- 325.14453 196.0
[M+Na-2H]- 287.10535 168.3
[M]+ 266.13013 164.7
[M]- 266.13123 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.