CID 3033119

56604-88-7

Structural Information

Molecular Formula

C₁₄H₁₇NO

SMILES

C/C(=C(/C)\C(=O)NC1CC1)/C2=CC=CC=C2

InChI

InChI=1S/C14H17NO/c1-10(12-6-4-3-5-7-12)11(2)14(16)15-13-8-9-13/h3-7,13H,8-9H2,1-2H3,(H,15,16)/b11-10+

InChIKey

VETRAJBMFDGTPT-ZHACJKMWSA-N

Compound name

(E)-N-cyclopropyl-2-methyl-3-phenylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 215.13101 Da
Monoisotopic Mass: 3.2
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]+	216.13829	146.5
[M+Na]+	238.12023	152.9
[M-H]-	214.12373	153.6
[M+NH4]+	233.16483	159.8
[M+K]+	254.09417	149.6
[M+H-H2O]+	198.12827	139.6
[M+HCOO]-	260.12921	168.9
[M+CH3COO]-	274.14486	194.1
[M+Na-2H]-	236.10568	149.7
[M]+	215.13046	146.8
[M]-	215.13156	146.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.