CID 345824

Quininic acid

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

COC1=CC2=C(C=CN=C2C=C1)C(=O)O

InChI

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

InChIKey

XXLFLUJXWKXUGS-UHFFFAOYSA-N

Compound name

6-methoxyquinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 9567
Patents: 203.05824 Da
Monoisotopic Mass: 1.7
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]+	204.06552	141.1
[M+Na]+	226.04746	155.0
[M+NH4]+	221.09206	149.1
[M+K]+	242.02140	149.1
[M-H]-	202.05096	142.5
[M+Na-2H]-	224.03291	147.6
[M]+	203.05769	143.4
[M]-	203.05879	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe