CID 68212848

Ethyl 5,6,7,8-tetrahydroquinoline-8-carboxylate

Structural Information

Molecular Formula
C12H15NO2
SMILES
CCOC(=O)C1CCCC2=C1N=CC=C2
InChI
InChI=1S/C12H15NO2/c1-2-15-12(14)10-7-3-5-9-6-4-8-13-11(9)10/h4,6,8,10H,2-3,5,7H2,1H3
InChIKey
KVJMXJLRPIIKAJ-UHFFFAOYSA-N
Compound name
ethyl 5,6,7,8-tetrahydroquinoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

205.11028 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 144.9
[M+Na]+ 228.09950 151.3
[M-H]- 204.10300 147.3
[M+NH4]+ 223.14410 163.4
[M+K]+ 244.07344 149.1
[M+H-H2O]+ 188.10754 137.7
[M+HCOO]- 250.10848 163.8
[M+CH3COO]- 264.12413 185.6
[M+Na-2H]- 226.08495 150.8
[M]+ 205.10973 144.1
[M]- 205.11083 144.1
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

patents stripe