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: 31
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]+	234.112476	151.0
[M+Na]+	256.094418	158.9
[M-H]-	232.097924	154.1
[M+NH4]+	251.139023	168.9
[M+K]+	272.068358	156.9
[M+H-H2O]+	216.102460	143.7
[M+HCOO]-	278.103401	171.3
[M+CH3COO]-	292.119051	190.9
[M+Na-2H]-	254.079866	156.8
[M]+	233.10465142	153.8
[M]-	233.10574858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe