CID 4658498

6-methoxy-2-methylquinoline-3-carboxylic acid hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
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 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

literature stripe

Patent stripe

patents stripe