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]+ 212.16451 151.5
[M+Na]+ 234.14645 154.4
[M-H]- 210.14995 151.4
[M+NH4]+ 229.19105 170.6
[M+K]+ 250.12039 152.2
[M+H-H2O]+ 194.15449 145.0
[M+HCOO]- 256.15543 164.4
[M+CH3COO]- 270.17108 182.6
[M+Na-2H]- 232.13190 155.5
[M]+ 211.15668 144.4
[M]- 211.15778 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.