CID 20493544

3-hydroxyquinoline-5-carbonitrile

Structural Information

Molecular Formula

C₁₀H₆N₂O

SMILES

C1=CC(=C2C=C(C=NC2=C1)O)C#N

InChI

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

InChIKey

BMFXRNKKJGBMEH-UHFFFAOYSA-N

Compound name

3-hydroxyquinoline-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 170.04802 Da
Monoisotopic Mass: 1.6
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]+	171.05530	137.8
[M+Na]+	193.03724	151.8
[M+NH4]+	188.08184	143.3
[M+K]+	209.01118	141.6
[M-H]-	169.04074	132.8
[M+Na-2H]-	191.02269	142.6
[M]+	170.04747	137.6
[M]-	170.04857	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe