CID 3044357

2h-quinolizin-3-axial-ol, octahydro-3-equatorial-phenyl-

Structural Information

Molecular Formula
C15H21NO
SMILES
C1CCN2C[C@@](CC[C@H]2C1)(C3=CC=CC=C3)O
InChI
InChI=1S/C15H21NO/c17-15(13-6-2-1-3-7-13)10-9-14-8-4-5-11-16(14)12-15/h1-3,6-7,14,17H,4-5,8-12H2/t14-,15+/m1/s1
InChIKey
TWAWRAWYIIDKAQ-CABCVRRESA-N
Compound name
(3R,9aR)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 155.6
[M+Na]+ 254.151528 159.5
[M-H]- 230.155034 158.9
[M+NH4]+ 249.196133 173.7
[M+K]+ 270.125468 155.3
[M+H-H2O]+ 214.159570 147.3
[M+HCOO]- 276.160511 169.6
[M+CH3COO]- 290.176161 165.4
[M+Na-2H]- 252.136976 160.8
[M]+ 231.16176142 147.2
[M]- 231.16285858 147.2
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.