CID 207819

30831-86-8

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

COCC(=O)N1CC=CC2=CC=CC=C21

InChI

InChI=1S/C12H13NO2/c1-15-9-12(14)13-8-4-6-10-5-2-3-7-11(10)13/h2-7H,8-9H2,1H3

InChIKey

POZLVXCQXAUMAT-UHFFFAOYSA-N

Compound name

2-methoxy-1-(2H-quinolin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.09464 Da
Monoisotopic Mass: 1.5
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]+	204.101916	143.3
[M+Na]+	226.083858	150.8
[M-H]-	202.087364	146.2
[M+NH4]+	221.128463	162.1
[M+K]+	242.057798	148.4
[M+H-H2O]+	186.091900	136.2
[M+HCOO]-	248.092841	163.7
[M+CH3COO]-	262.108491	185.3
[M+Na-2H]-	224.069306	150.3
[M]+	203.09409142	144.0
[M]-	203.09518858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.