CID 210398

21233-74-9

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]+	230.117556	151.0
[M+Na]+	252.099498	159.6
[M-H]-	228.103004	154.3
[M+NH4]+	247.144103	169.1
[M+K]+	268.073438	156.5
[M+H-H2O]+	212.107540	143.7
[M+HCOO]-	274.108481	172.2
[M+CH3COO]-	288.124131	192.1
[M+Na-2H]-	250.084946	157.3
[M]+	229.10973142	154.2
[M]-	229.11082858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe