CID 59264529

4-(dimethylamino)quinoline-2-carboxylic acid

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CN(C)C1=CC(=NC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C12H12N2O2/c1-14(2)11-7-10(12(15)16)13-9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,15,16)
InChIKey
KPHFFKJCJLJIPB-UHFFFAOYSA-N
Compound name
4-(dimethylamino)quinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

216.08987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 145.6
[M+Na]+ 239.07909 153.7
[M-H]- 215.08259 149.2
[M+NH4]+ 234.12369 163.6
[M+K]+ 255.05303 151.6
[M+H-H2O]+ 199.08713 138.4
[M+HCOO]- 261.08807 167.4
[M+CH3COO]- 275.10372 192.6
[M+Na-2H]- 237.06454 152.1
[M]+ 216.08932 146.8
[M]- 216.09042 146.8
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