CID 6435359

Brn 1452946

Structural Information

Molecular Formula

C₁₃H₁₅NO

SMILES

C/C(=C\C(=O)NCC=C)/C1=CC=CC=C1

InChI

InChI=1S/C13H15NO/c1-3-9-14-13(15)10-11(2)12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3,(H,14,15)/b11-10+

InChIKey

FISBEUIAUMZNMV-ZHACJKMWSA-N

Compound name

(E)-3-phenyl-N-prop-2-enylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 201.11537 Da
Monoisotopic Mass: 2.9
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]+	202.12265	147.2
[M+Na]+	224.10459	152.5
[M-H]-	200.10809	150.2
[M+NH4]+	219.14919	165.8
[M+K]+	240.07853	149.2
[M+H-H2O]+	184.11263	140.7
[M+HCOO]-	246.11357	170.3
[M+CH3COO]-	260.12922	188.0
[M+Na-2H]-	222.09004	151.0
[M]+	201.11482	145.7
[M]-	201.11592	145.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.