CID 6537952

2-ethylhexyl cinnamate

Structural Information

Molecular Formula

C₁₇H₂₄O₂

SMILES

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

InChI

InChI=1S/C17H24O2/c1-3-5-9-15(4-2)14-19-17(18)13-12-16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3/b13-12+

InChIKey

OUCGLXKNITVPJS-OUKQBFOZSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 798
Patents: 260.17764 Da
Monoisotopic Mass: 5.8
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]+	261.184916	166.0
[M+Na]+	283.166858	170.2
[M-H]-	259.170364	168.4
[M+NH4]+	278.211463	182.7
[M+K]+	299.140798	167.1
[M+H-H2O]+	243.174900	159.0
[M+HCOO]-	305.175841	186.8
[M+CH3COO]-	319.191491	198.1
[M+Na-2H]-	281.152306	167.4
[M]+	260.17709142	168.9
[M]-	260.17818858	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe