CID 12597844

4-methylquinoline-8-carboxylic acid

Structural Information

Molecular Formula
C11H9NO2
SMILES
CC1=C2C=CC=C(C2=NC=C1)C(=O)O
InChI
InChI=1S/C11H9NO2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11(13)14/h2-6H,1H3,(H,13,14)
InChIKey
QXIYMAYIEOSSJE-UHFFFAOYSA-N
Compound name
4-methylquinoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

279
Patents

187.06332 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 137.2
[M+Na]+ 210.05254 146.6
[M-H]- 186.05604 139.6
[M+NH4]+ 205.09714 156.2
[M+K]+ 226.02648 143.3
[M+H-H2O]+ 170.06058 130.8
[M+HCOO]- 232.06152 157.8
[M+CH3COO]- 246.07717 181.2
[M+Na-2H]- 208.03799 144.6
[M]+ 187.06277 137.6
[M]- 187.06387 137.6
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