CID 283477

Ethyl 2-aminoquinoline-3-carboxylate

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CCOC(=O)C1=CC2=CC=CC=C2N=C1N
InChI
InChI=1S/C12H12N2O2/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)14-11(9)13/h3-7H,2H2,1H3,(H2,13,14)
InChIKey
VTWSVSQLRSMHDM-UHFFFAOYSA-N
Compound name
ethyl 2-aminoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

216.08987 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 146.4
[M+Na]+ 239.079088 154.9
[M-H]- 215.082594 149.4
[M+NH4]+ 234.123693 164.3
[M+K]+ 255.053028 151.9
[M+H-H2O]+ 199.087130 139.1
[M+HCOO]- 261.088071 168.6
[M+CH3COO]- 275.103721 190.4
[M+Na-2H]- 237.064536 153.0
[M]+ 216.08932142 147.2
[M]- 216.09041858 147.2
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