CID 652347

6-methoxy-2-methylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C12H11NO3
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)C(=O)O
InChI
InChI=1S/C12H11NO3/c1-7-5-10(12(14)15)9-6-8(16-2)3-4-11(9)13-7/h3-6H,1-2H3,(H,14,15)
InChIKey
WCSVELHYERJCLA-UHFFFAOYSA-N
Compound name
6-methoxy-2-methylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
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 145.5
[M+Na]+ 240.06312 159.5
[M+NH4]+ 235.10772 153.3
[M+K]+ 256.03706 153.6
[M-H]- 216.06662 146.9
[M+Na-2H]- 238.04857 151.5
[M]+ 217.07335 147.8
[M]- 217.07445 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe