CID 6329567

(+/-)-trans-1,3-diphenylallyl acetate

Structural Information

Molecular Formula

C₁₇H₁₆O₂

SMILES

CC(=O)OC(/C=C/C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H16O2/c1-14(18)19-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-13,17H,1H3/b13-12+

InChIKey

UVJZGFKZGQSKDV-OUKQBFOZSA-N

Compound name

[(E)-1,3-diphenylprop-2-enyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 264
Patents: 252.11504 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.12232	159.5
[M+Na]+	275.10426	173.4
[M+NH4]+	270.14886	167.9
[M+K]+	291.07820	165.4
[M-H]-	251.10776	163.7
[M+Na-2H]-	273.08971	168.7
[M]+	252.11449	162.7
[M]-	252.11559	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe