CID 3063945

8-benzyl-3-p-tolyl-3-nortropanol

Structural Information

Molecular Formula
C21H25NO
SMILES
CC1=CC=C(C=C1)C2(CC3CCC(C2)N3CC4=CC=CC=C4)O
InChI
InChI=1S/C21H25NO/c1-16-7-9-18(10-8-16)21(23)13-19-11-12-20(14-21)22(19)15-17-5-3-2-4-6-17/h2-10,19-20,23H,11-15H2,1H3
InChIKey
WSAQHHQJXGRCCI-UHFFFAOYSA-N
Compound name
8-benzyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.200876 176.1
[M+Na]+ 330.182818 182.0
[M-H]- 306.186324 182.0
[M+NH4]+ 325.227423 194.0
[M+K]+ 346.156758 175.5
[M+H-H2O]+ 290.190860 167.2
[M+HCOO]- 352.191801 191.5
[M+CH3COO]- 366.207451 185.9
[M+Na-2H]- 328.168266 178.1
[M]+ 307.19305142 172.2
[M]- 307.19414858 172.2
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.