CID 5355854

Pentyl cinnamate

Structural Information

Molecular Formula

C₁₄H₁₈O₂

SMILES

CCCCCOC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C14H18O2/c1-2-3-7-12-16-14(15)11-10-13-8-5-4-6-9-13/h4-6,8-11H,2-3,7,12H2,1H3/b11-10+

InChIKey

QDRJCWZGTMRXCL-ZHACJKMWSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1035
Patents: 218.13068 Da
Monoisotopic Mass: 4.4
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]+	219.13796	152.2
[M+Na]+	241.11990	164.0
[M+NH4]+	236.16450	159.8
[M+K]+	257.09384	156.3
[M-H]-	217.12340	153.7
[M+Na-2H]-	239.10535	158.2
[M]+	218.13013	154.2
[M]-	218.13123	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe