CID 3808295

Ethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CCOC(=O)C1=C(N=C2CCCCC2=C1)N
InChI
InChI=1S/C12H16N2O2/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)14-11(9)13/h7H,2-6H2,1H3,(H2,13,14)
InChIKey
UDTDKVLABQUQKB-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

220.12119 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.0
[M+Na]+ 243.11041 155.5
[M-H]- 219.11391 151.3
[M+NH4]+ 238.15501 166.7
[M+K]+ 259.08435 153.0
[M+H-H2O]+ 203.11845 141.8
[M+HCOO]- 265.11939 168.3
[M+CH3COO]- 279.13504 191.1
[M+Na-2H]- 241.09586 153.7
[M]+ 220.12064 147.0
[M]- 220.12174 147.0
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