CID 73012984

Ethyl 4-aminoquinoline-2-carboxylate

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CCOC(=O)C1=NC2=CC=CC=C2C(=C1)N
InChI
InChI=1S/C12H12N2O2/c1-2-16-12(15)11-7-9(13)8-5-3-4-6-10(8)14-11/h3-7H,2H2,1H3,(H2,13,14)
InChIKey
YHNJLVCIOXNAFA-UHFFFAOYSA-N
Compound name
ethyl 4-aminoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe