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

5
Annotation Hits: 348
References: 27195
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	155.7
[M+Na]+	270.11007	163.2
[M-H]-	246.11357	158.6
[M+NH4]+	265.15467	173.0
[M+K]+	286.08401	161.0
[M+H-H2O]+	230.11811	148.2
[M+HCOO]-	292.11905	175.6
[M+CH3COO]-	306.13470	193.8
[M+Na-2H]-	268.09552	161.0
[M]+	247.12030	158.9
[M]-	247.12140	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe