CID 137944979

2287237-88-9

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 152.3
[M+Na]+ 234.14645 161.1
[M+NH4]+ 229.19105 161.8
[M+K]+ 250.12039 153.2
[M-H]- 210.14995 152.9
[M+Na-2H]- 232.13190 156.2
[M]+ 211.15668 153.5
[M]- 211.15778 153.5
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.