CID 58305612

1-[6-(1h-imidazol-1-yl)pyridin-3-yl]ethan-1-one

Structural Information

Molecular Formula

C₁₀H₉N₃O

SMILES

CC(=O)C1=CN=C(C=C1)N2C=CN=C2

InChI

InChI=1S/C10H9N3O/c1-8(14)9-2-3-10(12-6-9)13-5-4-11-7-13/h2-7H,1H3

InChIKey

TYVFEMRFHCSQOF-UHFFFAOYSA-N

Compound name

1-(6-imidazol-1-ylpyridin-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 187.07455 Da
Monoisotopic Mass: 0.6
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]+	188.08183	139.4
[M+Na]+	210.06377	153.0
[M+NH4]+	205.10837	146.9
[M+K]+	226.03771	148.8
[M-H]-	186.06727	141.2
[M+Na-2H]-	208.04922	147.8
[M]+	187.07400	141.7
[M]-	187.07510	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe