CID 746967

8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid

Structural Information

Molecular Formula
C12H11NO3
SMILES
CC1=CC(=C(C2=C1C=CC(=N2)C(=O)O)O)C
InChI
InChI=1S/C12H11NO3/c1-6-5-7(2)11(14)10-8(6)3-4-9(13-10)12(15)16/h3-5,14H,1-2H3,(H,15,16)
InChIKey
HNQUASTWMINBKK-UHFFFAOYSA-N
Compound name
8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

217.0739 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.081176 145.1
[M+Na]+ 240.063118 155.4
[M-H]- 216.066624 146.7
[M+NH4]+ 235.107723 162.7
[M+K]+ 256.037058 151.7
[M+H-H2O]+ 200.071160 139.1
[M+HCOO]- 262.072101 164.0
[M+CH3COO]- 276.087751 186.4
[M+Na-2H]- 238.048566 150.1
[M]+ 217.07335142 146.3
[M]- 217.07444858 146.3
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