CID 3033177

Cinnamamide, n-allyl-4-chloro-alpha,beta-dimethyl-, (e)-

Structural Information

Molecular Formula

C₁₄H₁₆ClNO

SMILES

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

InChI

InChI=1S/C14H16ClNO/c1-4-9-16-14(17)11(3)10(2)12-5-7-13(15)8-6-12/h4-8H,1,9H2,2-3H3,(H,16,17)/b11-10+

InChIKey

FNXMXVMYHCIAGR-ZHACJKMWSA-N

Compound name

(E)-3-(4-chlorophenyl)-2-methyl-N-prop-2-enylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 249.09204 Da
Monoisotopic Mass: 3.9
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]+	250.099316	157.5
[M+Na]+	272.081258	164.0
[M-H]-	248.084764	160.8
[M+NH4]+	267.125863	175.4
[M+K]+	288.055198	158.9
[M+H-H2O]+	232.089300	152.2
[M+HCOO]-	294.090241	174.9
[M+CH3COO]-	308.105891	196.8
[M+Na-2H]-	270.066706	158.5
[M]+	249.09149142	158.3
[M]-	249.09258858	158.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.