CID 168824

(-)-5-m-hydroxyphenyl-2-methylmorphan

Structural Information

Molecular Formula
C15H21NO
SMILES
CN1CC[C@]2(CCC[C@@H]1C2)C3=CC(=CC=C3)O
InChI
InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3/t13-,15+/m1/s1
InChIKey
ZQJGRSYDDMBMPJ-HIFRSBDPSA-N
Compound name
3-[(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 155.3
[M+Na]+ 254.15153 160.6
[M-H]- 230.15503 157.7
[M+NH4]+ 249.19613 174.6
[M+K]+ 270.12547 156.3
[M+H-H2O]+ 214.15957 147.7
[M+HCOO]- 276.16051 169.1
[M+CH3COO]- 290.17616 165.6
[M+Na-2H]- 252.13698 160.9
[M]+ 231.16176 149.3
[M]- 231.16286 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.