CID 27833

16357-59-8

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

CCOC1C=CC2=CC=CC=C2N1C(=O)OCC

InChI

InChI=1S/C14H17NO3/c1-3-17-13-10-9-11-7-5-6-8-12(11)15(13)14(16)18-4-2/h5-10,13H,3-4H2,1-2H3

InChIKey

GKQLYSROISKDLL-UHFFFAOYSA-N

Compound name

ethyl 2-ethoxy-2H-quinoline-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 348
References: 25921
Patents: 247.12085 Da
Monoisotopic Mass: 2.8
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]+	248.12813	155.8
[M+Na]+	270.11007	168.7
[M+NH4]+	265.15467	163.6
[M+K]+	286.08401	162.0
[M-H]-	246.11357	157.4
[M+Na-2H]-	268.09552	161.2
[M]+	247.12030	158.0
[M]-	247.12140	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe