CID 589334

91301-03-0

Structural Information

Molecular Formula

C₁₀H₇NO₂

SMILES

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

InChI

InChI=1S/C10H7NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-6H,(H,11,13)

InChIKey

VWHKEYXRRNSJTN-UHFFFAOYSA-N

Compound name

2-oxo-1H-quinoline-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 266
Patents: 173.04768 Da
Monoisotopic Mass: 1.0
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]+	174.05496	132.9
[M+Na]+	196.03690	147.9
[M+NH4]+	191.08150	141.5
[M+K]+	212.01084	140.8
[M-H]-	172.04040	134.8
[M+Na-2H]-	194.02235	140.4
[M]+	173.04713	135.6
[M]-	173.04823	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe