CID 135964599

Chembl1682442

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

CC1=NC2=C(C=C1)C(=C(C=C2)C(=O)O)O

InChI

InChI=1S/C11H9NO3/c1-6-2-3-7-9(12-6)5-4-8(10(7)13)11(14)15/h2-5,13H,1H3,(H,14,15)

InChIKey

VUKWLYLGIHTCKZ-UHFFFAOYSA-N

Compound name

5-hydroxy-2-methylquinoline-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 203.05824 Da
Monoisotopic Mass: 2.3
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]+	204.065516	140.7
[M+Na]+	226.047458	150.5
[M-H]-	202.050964	142.1
[M+NH4]+	221.092063	158.6
[M+K]+	242.021398	147.0
[M+H-H2O]+	186.055500	134.6
[M+HCOO]-	248.056441	160.0
[M+CH3COO]-	262.072091	182.1
[M+Na-2H]-	224.032906	146.9
[M]+	203.05769142	141.1
[M]-	203.05878858	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe