CID 93753

57661-24-2

Structural Information

Molecular Formula
C15H20ClNO
SMILES
C1CCN2CC[C@@](C[C@H]2C1)(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C15H20ClNO/c16-13-6-4-12(5-7-13)15(18)8-10-17-9-2-1-3-14(17)11-15/h4-7,14,18H,1-3,8-11H2/t14-,15-/m1/s1
InChIKey
LVBVOBFVWHLTBG-HUUCEWRRSA-N
Compound name
(2R,9aR)-2-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.12335 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13063 161.5
[M+Na]+ 288.11257 167.2
[M-H]- 264.11607 164.9
[M+NH4]+ 283.15717 179.5
[M+K]+ 304.08651 161.3
[M+H-H2O]+ 248.12061 154.0
[M+HCOO]- 310.12155 170.9
[M+CH3COO]- 324.13720 171.3
[M+Na-2H]- 286.09802 165.5
[M]+ 265.12280 155.7
[M]- 265.12390 155.7
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.