CID 22160542

4-methoxyquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC1=C(C=NC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C11H9NO3/c1-15-10-7-4-2-3-5-9(7)12-6-8(10)11(13)14/h2-6H,1H3,(H,13,14)
InChIKey
OHBRTJHNLZMLEC-UHFFFAOYSA-N
Compound name
4-methoxyquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

203.05824 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 140.3
[M+Na]+ 226.047458 149.5
[M-H]- 202.050964 142.7
[M+NH4]+ 221.092063 158.5
[M+K]+ 242.021398 146.9
[M+H-H2O]+ 186.055500 133.7
[M+HCOO]- 248.056441 161.1
[M+CH3COO]- 262.072091 183.3
[M+Na-2H]- 224.032906 147.7
[M]+ 203.05769142 142.1
[M]- 203.05878858 142.1
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