CID 5369165

55314-16-4

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

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

InChI

InChI=1S/C10H12N2O/c1-12(2)7-5-10(13)9-4-3-6-11-8-9/h3-8H,1-2H3/b7-5+

InChIKey

MZLRFUCMBQWLNV-FNORWQNLSA-N

Compound name

(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 203
Patents: 176.09496 Da
Monoisotopic Mass: 0.8
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]+	177.10224	138.8
[M+Na]+	199.08418	150.5
[M+NH4]+	194.12878	146.5
[M+K]+	215.05812	144.5
[M-H]-	175.08768	140.6
[M+Na-2H]-	197.06963	145.7
[M]+	176.09441	140.8
[M]-	176.09551	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe