CID 209662

20092-33-5

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC(=O)O[C@@]1(CCN2CCCC[C@H]2C1)C3=CC=CC=C3
InChI
InChI=1S/C17H23NO2/c1-14(19)20-17(15-7-3-2-4-8-15)10-12-18-11-6-5-9-16(18)13-17/h2-4,7-8,16H,5-6,9-13H2,1H3/t16-,17+/m0/s1
InChIKey
BVUDNRVDKDJDES-DLBZAZTESA-N
Compound name
[(2R,9aS)-2-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.180156 166.5
[M+Na]+ 296.162098 169.8
[M-H]- 272.165604 170.9
[M+NH4]+ 291.206703 183.4
[M+K]+ 312.136038 166.6
[M+H-H2O]+ 256.170140 157.6
[M+HCOO]- 318.171081 180.6
[M+CH3COO]- 332.186731 197.2
[M+Na-2H]- 294.147546 169.9
[M]+ 273.17233142 160.6
[M]- 273.17342858 160.6
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.