CID 82574582

Methyl 4-methylquinoline-8-carboxylate

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CC1=C2C=CC=C(C2=NC=C1)C(=O)OC

InChI

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

InChIKey

YOITZVPKKBPKAF-UHFFFAOYSA-N

Compound name

methyl 4-methylquinoline-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.07898 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]+	202.086256	141.5
[M+Na]+	224.068198	151.0
[M-H]-	200.071704	145.2
[M+NH4]+	219.112803	160.8
[M+K]+	240.042138	148.4
[M+H-H2O]+	184.076240	134.7
[M+HCOO]-	246.077181	163.4
[M+CH3COO]-	260.092831	186.1
[M+Na-2H]-	222.053646	148.9
[M]+	201.07843142	144.0
[M]-	201.07952858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.