CID 209666

20092-35-7

Structural Information

Molecular Formula
C18H25NO2
SMILES
CCC(=O)O[C@@]1(CCN2CCCC[C@@H]2C1)C3=CC=CC=C3
InChI
InChI=1S/C18H25NO2/c1-2-17(20)21-18(15-8-4-3-5-9-15)11-13-19-12-7-6-10-16(19)14-18/h3-5,8-9,16H,2,6-7,10-14H2,1H3/t16-,18-/m1/s1
InChIKey
LHHMEVNXCJLHKP-SJLPKXTDSA-N
Compound name
[(2R,9aR)-2-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.18854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19582 171.0
[M+Na]+ 310.17776 173.9
[M-H]- 286.18126 175.1
[M+NH4]+ 305.22236 187.3
[M+K]+ 326.15170 170.4
[M+H-H2O]+ 270.18580 161.8
[M+HCOO]- 332.18674 184.7
[M+CH3COO]- 346.20239 200.2
[M+Na-2H]- 308.16321 173.8
[M]+ 287.18799 165.4
[M]- 287.18909 165.4
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.