CID 210398

Ethyl 3-ethylquinoline-4-carboxylate

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

CCC1=C(C2=CC=CC=C2N=C1)C(=O)OCC

InChI

InChI=1S/C14H15NO2/c1-3-10-9-15-12-8-6-5-7-11(12)13(10)14(16)17-4-2/h5-9H,3-4H2,1-2H3

InChIKey

UGXIZTYEIYEMKE-UHFFFAOYSA-N

Compound name

ethyl 3-ethylquinoline-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 229.11028 Da
Monoisotopic Mass: 3.2
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]+	230.11756	151.2
[M+Na]+	252.09950	165.5
[M+NH4]+	247.14410	159.6
[M+K]+	268.07344	158.0
[M-H]-	228.10300	153.5
[M+Na-2H]-	250.08495	158.0
[M]+	229.10973	153.9
[M]-	229.11083	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe