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

36
Patents

217.0739 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 144.7
[M+Na]+ 240.06312 154.5
[M-H]- 216.06662 147.3
[M+NH4]+ 235.10772 162.7
[M+K]+ 256.03706 151.7
[M+H-H2O]+ 200.07116 138.2
[M+HCOO]- 262.07210 165.2
[M+CH3COO]- 276.08775 187.5
[M+Na-2H]- 238.04857 150.9
[M]+ 217.07335 147.3
[M]- 217.07445 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe