CID 43154788

2-(dimethylamino)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CN(C)C1=NC2=CC=CC=C2C(=C1)C(=O)O
InChI
InChI=1S/C12H12N2O2/c1-14(2)11-7-9(12(15)16)8-5-3-4-6-10(8)13-11/h3-7H,1-2H3,(H,15,16)
InChIKey
NGJFDFAIRAKMPJ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

216.08987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 145.6
[M+Na]+ 239.079088 153.7
[M-H]- 215.082594 149.2
[M+NH4]+ 234.123693 163.6
[M+K]+ 255.053028 151.6
[M+H-H2O]+ 199.087130 138.4
[M+HCOO]- 261.088071 167.4
[M+CH3COO]- 275.103721 192.6
[M+Na-2H]- 237.064536 152.1
[M]+ 216.08932142 146.8
[M]- 216.09041858 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

No literature data available for this compound.

Patent stripe

patents stripe