CID 5273469

Benzyl cinnamate

Structural Information

Molecular Formula

C₁₆H₁₄O₂

SMILES

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

InChI

InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+

InChIKey

NGHOLYJTSCBCGC-VAWYXSNFSA-N

Compound name

benzyl (E)-3-phenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 52
References: 8428
Patents: 238.09938 Da
Monoisotopic Mass: 3.8
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]+	239.10666	155.3
[M+Na]+	261.08860	169.8
[M+NH4]+	256.13320	163.9
[M+K]+	277.06254	161.1
[M-H]-	237.09210	159.8
[M+Na-2H]-	259.07405	165.1
[M]+	238.09883	158.7
[M]-	238.09993	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe