CID 529344

142896-11-5

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

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

InChI

InChI=1S/C10H11NO/c1-7(2)9-4-5-11-10(6-9)8(3)12/h4-6H,1H2,2-3H3

InChIKey

QGALSOGFUDWZMF-UHFFFAOYSA-N

Compound name

1-(4-prop-1-en-2-ylpyridin-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 52
Patents: 161.08406 Da
Monoisotopic Mass: 2.3
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]+	162.09134	134.6
[M+Na]+	184.07328	147.5
[M+NH4]+	179.11788	142.5
[M+K]+	200.04722	141.6
[M-H]-	160.07678	135.8
[M+Na-2H]-	182.05873	141.1
[M]+	161.08351	136.7
[M]-	161.08461	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe