CID 5356345

2-cinnamoylphenyl acetate

Structural Information

Molecular Formula
C17H14O3
SMILES
CC(=O)OC1=CC=CC=C1C(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C17H14O3/c1-13(18)20-17-10-6-5-9-15(17)16(19)12-11-14-7-3-2-4-8-14/h2-12H,1H3/b12-11+
InChIKey
CTSJOUULMDGHKP-VAWYXSNFSA-N
Compound name
[2-[(E)-3-phenylprop-2-enoyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 160.4
[M+Na]+ 289.08352 166.9
[M-H]- 265.08702 166.9
[M+NH4]+ 284.12812 176.4
[M+K]+ 305.05746 163.3
[M+H-H2O]+ 249.09156 152.6
[M+HCOO]- 311.09250 183.1
[M+CH3COO]- 325.10815 196.2
[M+Na-2H]- 287.06897 163.7
[M]+ 266.09375 161.7
[M]- 266.09485 161.7
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.