CID 2764577

36926-82-6

Structural Information

Molecular Formula

C₁₀H₆N₂O

SMILES

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

InChI

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

InChIKey

WNRMLIGSXULUPQ-UHFFFAOYSA-N

Compound name

2-oxo-1H-quinoline-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
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	136.4
[M+Na]+	193.03724	148.6
[M-H]-	169.04074	138.1
[M+NH4]+	188.08184	154.0
[M+K]+	209.01118	142.6
[M+H-H2O]+	153.04528	123.7
[M+HCOO]-	215.04622	154.5
[M+CH3COO]-	229.06187	148.4
[M+Na-2H]-	191.02269	144.4
[M]+	170.04747	130.4
[M]-	170.04857	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe