CID 292952

2,3-dimethylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C12H11NO2
SMILES
CC1=C(C2=CC=CC=C2N=C1C)C(=O)O
InChI
InChI=1S/C12H11NO2/c1-7-8(2)13-10-6-4-3-5-9(10)11(7)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKey
HBLZFANAJAJVRQ-UHFFFAOYSA-N
Compound name
2,3-dimethylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
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 141.5
[M+Na]+ 224.06820 151.5
[M-H]- 200.07170 144.2
[M+NH4]+ 219.11280 160.3
[M+K]+ 240.04214 148.0
[M+H-H2O]+ 184.07624 135.3
[M+HCOO]- 246.07718 161.8
[M+CH3COO]- 260.09283 185.4
[M+Na-2H]- 222.05365 147.8
[M]+ 201.07843 142.7
[M]- 201.07953 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

literature stripe

Patent stripe

patents stripe