CID 107396

3488-00-4

Structural Information

Molecular Formula

C₁₅H₂₀O₂

SMILES

CCCCCCOC(=O)C=CC1=CC=CC=C1

InChI

InChI=1S/C15H20O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h5-7,9-12H,2-4,8,13H2,1H3

InChIKey

UYWPFEKMTYDVQM-UHFFFAOYSA-N

Compound name

hexyl 3-phenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 175
Patents: 232.14633 Da
Monoisotopic Mass: 5.0
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]+	233.15361	156.7
[M+Na]+	255.13555	168.3
[M+NH4]+	250.18015	164.2
[M+K]+	271.10949	160.4
[M-H]-	231.13905	158.2
[M+Na-2H]-	253.12100	162.4
[M]+	232.14578	158.6
[M]-	232.14688	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe