CID 89194

19668-24-7

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

CCOC(=O)N1C(C=CC2=CC=CC=C21)OC

InChI

InChI=1S/C13H15NO3/c1-3-17-13(15)14-11-7-5-4-6-10(11)8-9-12(14)16-2/h4-9,12H,3H2,1-2H3

InChIKey

ZHMOADYMMOAGSH-UHFFFAOYSA-N

Compound name

ethyl 2-methoxy-2H-quinoline-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 233.1052 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]+	234.11248	151.0
[M+Na]+	256.09442	158.9
[M-H]-	232.09792	154.1
[M+NH4]+	251.13902	168.9
[M+K]+	272.06836	156.9
[M+H-H2O]+	216.10246	143.7
[M+HCOO]-	278.10340	171.3
[M+CH3COO]-	292.11905	190.9
[M+Na-2H]-	254.07987	156.8
[M]+	233.10465	153.8
[M]-	233.10575	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe