CID 11413002

850171-06-1

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CC(=O)C1=CC2=CC=CC=C2N=C1OC

InChI

InChI=1S/C12H11NO2/c1-8(14)10-7-9-5-3-4-6-11(9)13-12(10)15-2/h3-7H,1-2H3

InChIKey

LHDXXWJYBSDBTC-UHFFFAOYSA-N

Compound name

1-(2-methoxyquinolin-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 201.07898 Da
Monoisotopic Mass: 2.2
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]+	202.086256	141.3
[M+Na]+	224.068198	150.7
[M-H]-	200.071704	145.0
[M+NH4]+	219.112803	160.5
[M+K]+	240.042138	148.1
[M+H-H2O]+	184.076240	134.4
[M+HCOO]-	246.077181	163.1
[M+CH3COO]-	260.092831	186.8
[M+Na-2H]-	222.053646	148.7
[M]+	201.07843142	143.9
[M]-	201.07952858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe