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]+ 248.16451 159.1
[M+Na]+ 270.14645 163.5
[M-H]- 246.14995 161.4
[M+NH4]+ 265.19105 176.1
[M+K]+ 286.12039 159.0
[M+H-H2O]+ 230.15449 151.3
[M+HCOO]- 292.15543 171.7
[M+CH3COO]- 306.17108 168.5
[M+Na-2H]- 268.13190 163.3
[M]+ 247.15668 150.8
[M]- 247.15778 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.