CID 6434371

43196-33-4

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

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

InChI

InChI=1S/C12H14ClNO2/c13-11-5-2-10(3-6-11)4-7-12(16)14-8-1-9-15/h2-7,15H,1,8-9H2,(H,14,16)/b7-4+

InChIKey

IBPICLCQJXBWSS-QPJJXVBHSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 239.0713 Da
Monoisotopic Mass: 1.9
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]+	240.078576	152.9
[M+Na]+	262.060518	159.9
[M-H]-	238.064024	154.8
[M+NH4]+	257.105123	170.5
[M+K]+	278.034458	154.5
[M+H-H2O]+	222.068560	147.6
[M+HCOO]-	284.069501	171.4
[M+CH3COO]-	298.085151	189.4
[M+Na-2H]-	260.045966	156.8
[M]+	239.07075142	154.4
[M]-	239.07184858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe