CID 5355850

Cinnamyl propionate

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

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

InChI

InChI=1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6+

InChIKey

KGDJMNKPBUNHGY-RMKNXTFCSA-N

Compound name

[(E)-3-phenylprop-2-enyl] propanoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 3
References: 1700
Patents: 190.09938 Da
Monoisotopic Mass: 2.7
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]+	191.10666	143.2
[M+Na]+	213.08860	155.5
[M+NH4]+	208.13320	151.2
[M+K]+	229.06254	148.3
[M-H]-	189.09210	144.8
[M+Na-2H]-	211.07405	149.7
[M]+	190.09883	145.3
[M]-	190.09993	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe