CID 3033121

56604-92-3

Structural Information

Molecular Formula

C₁₄H₁₅NO

SMILES

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

InChI

InChI=1S/C14H15NO/c1-4-10-15-14(16)12(3)11(2)13-8-6-5-7-9-13/h1,5-9H,10H2,2-3H3,(H,15,16)/b12-11+

InChIKey

LEHGCEPMNDWJMX-VAWYXSNFSA-N

Compound name

(E)-2-methyl-3-phenyl-N-prop-2-ynylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 213.11537 Da
Monoisotopic Mass: 2.7
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]+	214.12265	155.8
[M+Na]+	236.10459	163.1
[M-H]-	212.10809	157.3
[M+NH4]+	231.14919	171.7
[M+K]+	252.07853	158.5
[M+H-H2O]+	196.11263	143.3
[M+HCOO]-	258.11357	171.7
[M+CH3COO]-	272.12922	198.2
[M+Na-2H]-	234.09004	156.7
[M]+	213.11482	148.7
[M]-	213.11592	148.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.