CID 17039968

6,7-dimethylquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C12H11NO2
SMILES
CC1=CC2=CC(=CN=C2C=C1C)C(=O)O
InChI
InChI=1S/C12H11NO2/c1-7-3-9-5-10(12(14)15)6-13-11(9)4-8(7)2/h3-6H,1-2H3,(H,14,15)
InChIKey
PJSIIXYYIBFANC-UHFFFAOYSA-N
Compound name
6,7-dimethylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

201.07898 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 141.5
[M+Na]+ 224.068198 151.5
[M-H]- 200.071704 144.2
[M+NH4]+ 219.112803 160.3
[M+K]+ 240.042138 148.0
[M+H-H2O]+ 184.076240 135.3
[M+HCOO]- 246.077181 161.8
[M+CH3COO]- 260.092831 185.4
[M+Na-2H]- 222.053646 147.8
[M]+ 201.07843142 142.7
[M]- 201.07952858 142.7
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