CID 16108973

166196-84-5

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O

SMILES

CN(C)/C=C/C(=O)C1=C(N=CC=C1)Cl

InChI

InChI=1S/C10H11ClN2O/c1-13(2)7-5-9(14)8-4-3-6-12-10(8)11/h3-7H,1-2H3/b7-5+

InChIKey

VJWLVZNRISQMLV-FNORWQNLSA-N

Compound name

(E)-1-(2-chloropyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 210.05598 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]+	211.06326	143.6
[M+Na]+	233.04520	152.0
[M-H]-	209.04870	147.2
[M+NH4]+	228.08980	162.4
[M+K]+	249.01914	148.8
[M+H-H2O]+	193.05324	137.3
[M+HCOO]-	255.05418	163.2
[M+CH3COO]-	269.06983	190.6
[M+Na-2H]-	231.03065	148.6
[M]+	210.05543	146.6
[M]-	210.05653	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe