CID 818247

2,7-dimethylquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C12H11NO2
SMILES
CC1=CC2=NC(=C(C=C2C=C1)C(=O)O)C
InChI
InChI=1S/C12H11NO2/c1-7-3-4-9-6-10(12(14)15)8(2)13-11(9)5-7/h3-6H,1-2H3,(H,14,15)
InChIKey
WKTYGVBJWKJPEY-UHFFFAOYSA-N
Compound name
2,7-dimethylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

201.07898 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 142.3
[M+Na]+ 224.06820 156.8
[M+NH4]+ 219.11280 150.7
[M+K]+ 240.04214 150.4
[M-H]- 200.07170 144.2
[M+Na-2H]- 222.05365 148.8
[M]+ 201.07843 144.9
[M]- 201.07953 144.9
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