CID 11052097

Quinoline-6-carboxamide

Structural Information

Molecular Formula

C₁₀H₈N₂O

SMILES

C1=CC2=C(C=CC(=C2)C(=O)N)N=C1

InChI

InChI=1S/C10H8N2O/c11-10(13)8-3-4-9-7(6-8)2-1-5-12-9/h1-6H,(H2,11,13)

InChIKey

YMNAJWHTELQUJU-UHFFFAOYSA-N

Compound name

quinoline-6-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 881
Patents: 172.06366 Da
Monoisotopic Mass: 0.7
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]+	173.07094	133.5
[M+Na]+	195.05288	142.1
[M-H]-	171.05638	136.6
[M+NH4]+	190.09748	153.0
[M+K]+	211.02682	138.9
[M+H-H2O]+	155.06092	126.7
[M+HCOO]-	217.06186	156.3
[M+CH3COO]-	231.07751	181.7
[M+Na-2H]-	193.03833	142.1
[M]+	172.06311	131.9
[M]-	172.06421	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe