CID 112721

84254-87-5

Structural Information

Molecular Formula

C₁₄H₁₆O₂

SMILES

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

InChI

InChI=1S/C14H16O2/c1-3-12(2)14(15)16-11-7-10-13-8-5-4-6-9-13/h3-10H,11H2,1-2H3

InChIKey

KRNURAJANZKGQN-UHFFFAOYSA-N

Compound name

3-phenylprop-2-enyl 2-methylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 44
Patents: 216.11504 Da
Monoisotopic Mass: 3.5
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]+	217.12232	151.4
[M+Na]+	239.10426	163.0
[M+NH4]+	234.14886	158.7
[M+K]+	255.07820	156.1
[M-H]-	215.10776	152.5
[M+Na-2H]-	237.08971	157.0
[M]+	216.11449	153.2
[M]-	216.11559	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe