CID 5396716

123367-27-1

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

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

InChI

InChI=1S/C10H12N2O/c1-12(2)8-5-10(13)9-3-6-11-7-4-9/h3-8H,1-2H3/b8-5+

InChIKey

JZGHSXBVKSMAKH-VMPITWQZSA-N

Compound name

(E)-3-(dimethylamino)-1-pyridin-4-ylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 104
Patents: 176.09496 Da
Monoisotopic Mass: 0.9
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]+	177.10224	138.0
[M+Na]+	199.08418	144.7
[M-H]-	175.08768	141.5
[M+NH4]+	194.12878	157.1
[M+K]+	215.05812	143.6
[M+H-H2O]+	159.09222	130.8
[M+HCOO]-	221.09316	162.2
[M+CH3COO]-	235.10881	185.7
[M+Na-2H]-	197.06963	144.2
[M]+	176.09441	138.7
[M]-	176.09551	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe