CID 11116473

6-(2-furyl)nicotinonitrile

Structural Information

Molecular Formula

C₁₀H₆N₂O

SMILES

C1=COC(=C1)C2=NC=C(C=C2)C#N

InChI

InChI=1S/C10H6N2O/c11-6-8-3-4-9(12-7-8)10-2-1-5-13-10/h1-5,7H

InChIKey

MLVPTQAKBGAZLS-UHFFFAOYSA-N

Compound name

6-(furan-2-yl)pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 170.04802 Da
Monoisotopic Mass: 1.3
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]+	171.05530	133.7
[M+Na]+	193.03724	145.2
[M-H]-	169.04074	138.4
[M+NH4]+	188.08184	150.9
[M+K]+	209.01118	141.8
[M+H-H2O]+	153.04528	119.7
[M+HCOO]-	215.04622	154.2
[M+CH3COO]-	229.06187	146.6
[M+Na-2H]-	191.02269	140.7
[M]+	170.04747	129.6
[M]-	170.04857	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe