CID 137944979

Rac-ethyl (4ar,8ar)-decahydroquinoline-4a-carboxylate

Structural Information

Molecular Formula
C12H21NO2
SMILES
CCOC(=O)[C@]12CCCC[C@@H]1NCCC2
InChI
InChI=1S/C12H21NO2/c1-2-15-11(14)12-7-4-3-6-10(12)13-9-5-8-12/h10,13H,2-9H2,1H3/t10-,12-/m0/s1
InChIKey
FNMOWINSTLPBJR-JQWIXIFHSA-N
Compound name
ethyl (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.15723 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.164506 151.5
[M+Na]+ 234.146448 154.4
[M-H]- 210.149954 151.4
[M+NH4]+ 229.191053 170.6
[M+K]+ 250.120388 152.2
[M+H-H2O]+ 194.154490 145.0
[M+HCOO]- 256.155431 164.4
[M+CH3COO]- 270.171081 182.6
[M+Na-2H]- 232.131896 155.5
[M]+ 211.15668142 144.4
[M]- 211.15777858 144.4
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.