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

2
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

patents stripe