CID 3040895

2h-quinolizin-3-equatorial-ol, octahydro-3-axial-(4-hydroxyphenyl)-

Structural Information

Molecular Formula
C15H21NO2
SMILES
C1CCN2C[C@@](CC[C@@H]2C1)(C3=CC=C(C=C3)O)O
InChI
InChI=1S/C15H21NO2/c17-14-6-4-12(5-7-14)15(18)9-8-13-3-1-2-10-16(13)11-15/h4-7,13,17-18H,1-3,8-11H2/t13-,15-/m0/s1
InChIKey
PZGMZGPBLOKKJK-ZFWWWQNUSA-N
Compound name
(3R,9aS)-3-(4-hydroxyphenyl)-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

247.15723 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 159.1
[M+Na]+ 270.146448 163.5
[M-H]- 246.149954 161.4
[M+NH4]+ 265.191053 176.1
[M+K]+ 286.120388 159.0
[M+H-H2O]+ 230.154490 151.3
[M+HCOO]- 292.155431 171.7
[M+CH3COO]- 306.171081 168.5
[M+Na-2H]- 268.131896 163.3
[M]+ 247.15668142 150.8
[M]- 247.15777858 150.8
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.