CID 93758

2-equatorial-hydroxy-2-axial-(3-trifluorophenyl)quinolizidine

Structural Information

Molecular Formula
C16H20F3NO
SMILES
C1CCN2CCC(C[C@H]2C1)(C3=CC(=CC=C3)C(F)(F)F)O
InChI
InChI=1S/C16H20F3NO/c17-16(18,19)13-5-3-4-12(10-13)15(21)7-9-20-8-2-1-6-14(20)11-15/h3-5,10,14,21H,1-2,6-9,11H2/t14-,15?/m1/s1
InChIKey
OABKVAHOXRFSNU-GICMACPYSA-N
Compound name
(9aR)-2-[3-(trifluoromethyl)phenyl]-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

299.1497 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15698 170.6
[M+Na]+ 322.13892 175.8
[M-H]- 298.14242 170.2
[M+NH4]+ 317.18352 186.2
[M+K]+ 338.11286 170.4
[M+H-H2O]+ 282.14696 160.1
[M+HCOO]- 344.14790 179.3
[M+CH3COO]- 358.16355 199.2
[M+Na-2H]- 320.12437 173.4
[M]+ 299.14915 159.1
[M]- 299.15025 159.1
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.