CID 6434091

Cinnamamide, 4-chloro-n-(2-hydroxypropyl)-

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

CC(CNC(=O)/C=C/C1=CC=C(C=C1)Cl)O

InChI

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

InChIKey

SVLVGTSFQFZIBO-QPJJXVBHSA-N

Compound name

(E)-3-(4-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 239.0713 Da
Monoisotopic Mass: 2.0
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	153.0
[M+Na]+	262.060518	159.8
[M-H]-	238.064024	155.1
[M+NH4]+	257.105123	170.6
[M+K]+	278.034458	154.9
[M+H-H2O]+	222.068560	147.9
[M+HCOO]-	284.069501	170.5
[M+CH3COO]-	298.085151	190.3
[M+Na-2H]-	260.045966	155.7
[M]+	239.07075142	153.9
[M]-	239.07184858	153.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.