CID 1550890

Cinnamyl cinnamate

Structural Information

Molecular Formula
C18H16O2
SMILES
C1=CC=C(C=C1)/C=C/COC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2/b12-7+,14-13+
InChIKey
NQBWNECTZUOWID-MZXMXVKLSA-N
Compound name
[(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

10
References

13160
Patents

264.11502 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12230 162.7
[M+Na]+ 287.10424 168.3
[M-H]- 263.10774 168.5
[M+NH4]+ 282.14884 178.6
[M+K]+ 303.07818 163.2
[M+H-H2O]+ 247.11228 154.6
[M+HCOO]- 309.11322 185.7
[M+CH3COO]- 323.12887 194.5
[M+Na-2H]- 285.08969 167.3
[M]+ 264.11447 162.9
[M]- 264.11557 162.9
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