CID 93757

57661-28-6

Structural Information

Molecular Formula
C15H20ClNO
SMILES
C1CCN2CCC(C[C@H]2C1)(C3=CC(=CC=C3)Cl)O
InChI
InChI=1S/C15H20ClNO/c16-13-5-3-4-12(10-13)15(18)7-9-17-8-2-1-6-14(17)11-15/h3-5,10,14,18H,1-2,6-9,11H2/t14-,15?/m1/s1
InChIKey
NSYPKASBYLRUNW-GICMACPYSA-N
Compound name
(9aR)-2-(3-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 161.1
[M+Na]+ 288.11257 174.8
[M+NH4]+ 283.15717 172.6
[M+K]+ 304.08651 164.0
[M-H]- 264.11607 165.7
[M+Na-2H]- 286.09802 169.1
[M]+ 265.12280 164.8
[M]- 265.12390 164.8
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.