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]+ 274.18016 166.5
[M+Na]+ 296.16210 169.8
[M-H]- 272.16560 170.9
[M+NH4]+ 291.20670 183.4
[M+K]+ 312.13604 166.6
[M+H-H2O]+ 256.17014 157.6
[M+HCOO]- 318.17108 180.6
[M+CH3COO]- 332.18673 197.2
[M+Na-2H]- 294.14755 169.9
[M]+ 273.17233 160.6
[M]- 273.17343 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.