CID 6434079

Cinnamamide, n-(2-chloroethyl)-4-methoxy-

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NCCCl

InChI

InChI=1S/C12H14ClNO2/c1-16-11-5-2-10(3-6-11)4-7-12(15)14-9-8-13/h2-7H,8-9H2,1H3,(H,14,15)/b7-4+

InChIKey

BLHWZUJWUBBBPV-QPJJXVBHSA-N

Compound name

(E)-N-(2-chloroethyl)-3-(4-methoxyphenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.0713 Da
Monoisotopic Mass: 2.2
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]+	240.078576	152.6
[M+Na]+	262.060518	160.0
[M-H]-	238.064024	155.9
[M+NH4]+	257.105123	170.9
[M+K]+	278.034458	155.5
[M+H-H2O]+	222.068560	147.0
[M+HCOO]-	284.069501	172.5
[M+CH3COO]-	298.085151	191.9
[M+Na-2H]-	260.045966	157.0
[M]+	239.07075142	155.9
[M]-	239.07184858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.