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]+ 232.16959 155.6
[M+Na]+ 254.15153 159.5
[M-H]- 230.15503 158.9
[M+NH4]+ 249.19613 173.7
[M+K]+ 270.12547 155.3
[M+H-H2O]+ 214.15957 147.3
[M+HCOO]- 276.16051 169.6
[M+CH3COO]- 290.17616 165.4
[M+Na-2H]- 252.13698 160.8
[M]+ 231.16176 147.2
[M]- 231.16286 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.