CID 62265682

1249671-44-0

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CCOC(=O)N1CCCC2=C1C=C(C=C2)N
InChI
InChI=1S/C12H16N2O2/c1-2-16-12(15)14-7-3-4-9-5-6-10(13)8-11(9)14/h5-6,8H,2-4,7,13H2,1H3
InChIKey
MXDQMWHAXGYMIN-UHFFFAOYSA-N
Compound name
ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.2
[M+Na]+ 243.11041 160.4
[M+NH4]+ 238.15501 157.1
[M+K]+ 259.08435 154.5
[M-H]- 219.11391 151.2
[M+Na-2H]- 241.09586 153.8
[M]+ 220.12064 151.1
[M]- 220.12174 151.1
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

No patent data available for this compound.