CID 270566

4-cyanoquinoline

Structural Information

Molecular Formula

C₁₀H₆N₂

SMILES

C1=CC=C2C(=C1)C(=CC=N2)C#N

InChI

InChI=1S/C10H6N2/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H

InChIKey

JBSAUEMFOKUWTP-UHFFFAOYSA-N

Compound name

quinoline-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 458
Patents: 154.0531 Da
Monoisotopic Mass: 2.0
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]+	155.060376	131.8
[M+Na]+	177.042318	143.5
[M-H]-	153.045824	134.4
[M+NH4]+	172.086923	150.5
[M+K]+	193.016258	138.1
[M+H-H2O]+	137.050360	118.8
[M+HCOO]-	199.051301	151.0
[M+CH3COO]-	213.066951	144.3
[M+Na-2H]-	175.027766	141.2
[M]+	154.05255142	126.5
[M]-	154.05364858	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe