CID 280090

17954-23-3

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

CCOC(=O)N1C(C=CC2=CC=CC=C21)C#N

InChI

InChI=1S/C13H12N2O2/c1-2-17-13(16)15-11(9-14)8-7-10-5-3-4-6-12(10)15/h3-8,11H,2H2,1H3

InChIKey

QFAHEDSFVHOFGW-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-2H-quinoline-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 228.08987 Da
Monoisotopic Mass: 2.4
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]+	229.09715	150.9
[M+Na]+	251.07909	161.1
[M-H]-	227.08259	153.2
[M+NH4]+	246.12369	167.0
[M+K]+	267.05303	156.4
[M+H-H2O]+	211.08713	137.4
[M+HCOO]-	273.08807	167.6
[M+CH3COO]-	287.10372	201.3
[M+Na-2H]-	249.06454	156.1
[M]+	228.08932	146.8
[M]-	228.09042	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe