CID 1481999

635-79-0

Structural Information

Molecular Formula

C₁₁H₉NO₂

SMILES

CC1=NC2=CC=CC=C2C=C1C(=O)O

InChI

InChI=1S/C11H9NO2/c1-7-9(11(13)14)6-8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H,13,14)

InChIKey

WXYKQNAKEPRCGF-UHFFFAOYSA-N

Compound name

2-methylquinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 143
Patents: 187.06332 Da
Monoisotopic Mass: 2.1
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]+	188.07060	137.2
[M+Na]+	210.05254	146.6
[M-H]-	186.05604	139.6
[M+NH4]+	205.09714	156.2
[M+K]+	226.02648	143.3
[M+H-H2O]+	170.06058	130.8
[M+HCOO]-	232.06152	157.8
[M+CH3COO]-	246.07717	181.2
[M+Na-2H]-	208.03799	144.6
[M]+	187.06277	137.6
[M]-	187.06387	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe