CID 818248

7-methoxy-2-methylquinoline-3-carboxylic acid

Structural Information

Molecular Formula

C₁₂H₁₁NO₃

SMILES

CC1=C(C=C2C=CC(=CC2=N1)OC)C(=O)O

InChI

InChI=1S/C12H11NO3/c1-7-10(12(14)15)5-8-3-4-9(16-2)6-11(8)13-7/h3-6H,1-2H3,(H,14,15)

InChIKey

XBQMSEMHUXMTQF-UHFFFAOYSA-N

Compound name

7-methoxy-2-methylquinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 217.0739 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]+	218.081176	144.7
[M+Na]+	240.063118	154.5
[M-H]-	216.066624	147.3
[M+NH4]+	235.107723	162.7
[M+K]+	256.037058	151.7
[M+H-H2O]+	200.071160	138.2
[M+HCOO]-	262.072101	165.2
[M+CH3COO]-	276.087751	187.5
[M+Na-2H]-	238.048566	150.9
[M]+	217.07335142	147.3
[M]-	217.07444858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe