CID 12034637

Ethyl 7-methylquinoline-3-carboxylate

Structural Information

Molecular Formula

C₁₃H₁₃NO₂

SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1)C

InChI

InChI=1S/C13H13NO2/c1-3-16-13(15)11-7-10-5-4-9(2)6-12(10)14-8-11/h4-8H,3H2,1-2H3

InChIKey

BIOKKBHSLVUSFB-UHFFFAOYSA-N

Compound name

ethyl 7-methylquinoline-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 215.09464 Da
Monoisotopic Mass: 3.0
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]+	216.10192	146.6
[M+Na]+	238.08386	161.2
[M+NH4]+	233.12846	155.2
[M+K]+	254.05780	153.9
[M-H]-	214.08736	149.0
[M+Na-2H]-	236.06931	153.7
[M]+	215.09409	149.4
[M]-	215.09519	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe