CID 3039317

Brn 1534093

Structural Information

Molecular Formula
C15H21NO
SMILES
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=CC=C3)CO
InChI
InChI=1S/C15H21NO/c1-16-12-7-8-15(16)14(10-17)13(9-12)11-5-3-2-4-6-11/h2-6,12-15,17H,7-10H2,1H3/t12-,13+,14-,15+/m0/s1
InChIKey
DAYQKDBNPICMGA-LJISPDSOSA-N
Compound name
[(1R,2S,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl]methanol
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 155.0
[M+Na]+ 254.15153 161.2
[M-H]- 230.15503 157.9
[M+NH4]+ 249.19613 174.6
[M+K]+ 270.12547 156.6
[M+H-H2O]+ 214.15957 148.2
[M+HCOO]- 276.16051 171.1
[M+CH3COO]- 290.17616 166.1
[M+Na-2H]- 252.13698 157.2
[M]+ 231.16176 151.5
[M]- 231.16286 151.5
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.