CID 54694513

15000-43-8

Structural Information

Molecular Formula

C₁₀H₆N₂O₂

SMILES

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

InChI

InChI=1S/C10H6N2O2/c11-5-7-9(13)6-3-1-2-4-8(6)12-10(7)14/h1-4H,(H2,12,13,14)

InChIKey

CRRUFISVDCIBAP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 37
Patents: 186.04292 Da
Monoisotopic Mass: 1.2
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]+	187.05020	140.4
[M+Na]+	209.03214	153.9
[M+NH4]+	204.07674	144.9
[M+K]+	225.00608	144.5
[M-H]-	185.03564	134.4
[M+Na-2H]-	207.01759	144.0
[M]+	186.04237	139.7
[M]-	186.04347	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe