CID 91636357

Methyl 2-(quinolin-2-yl)propanoate

Structural Information

Molecular Formula

C₁₃H₁₃NO₂

SMILES

CC(C1=NC2=CC=CC=C2C=C1)C(=O)OC

InChI

InChI=1S/C13H13NO2/c1-9(13(15)16-2)11-8-7-10-5-3-4-6-12(10)14-11/h3-9H,1-2H3

InChIKey

IAYFPOZMSYZJRQ-UHFFFAOYSA-N

Compound name

methyl 2-quinolin-2-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 215.09464 Da
Monoisotopic Mass: 2.6
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]+	216.101916	146.6
[M+Na]+	238.083858	154.4
[M-H]-	214.087364	149.8
[M+NH4]+	233.128463	164.9
[M+K]+	254.057798	152.0
[M+H-H2O]+	198.091900	139.5
[M+HCOO]-	260.092841	167.1
[M+CH3COO]-	274.108491	188.8
[M+Na-2H]-	236.069306	152.9
[M]+	215.09409142	148.5
[M]-	215.09518858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe