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]+ 221.128466 149.3
[M+Na]+ 243.110408 155.9
[M-H]- 219.113914 151.6
[M+NH4]+ 238.155013 167.1
[M+K]+ 259.084348 153.3
[M+H-H2O]+ 203.118450 142.1
[M+HCOO]- 265.119391 168.6
[M+CH3COO]- 279.135041 190.4
[M+Na-2H]- 241.095856 154.0
[M]+ 220.12064142 147.1
[M]- 220.12173858 147.1
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.