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]+ 308.20088 176.1
[M+Na]+ 330.18282 182.0
[M-H]- 306.18632 182.0
[M+NH4]+ 325.22742 194.0
[M+K]+ 346.15676 175.5
[M+H-H2O]+ 290.19086 167.2
[M+HCOO]- 352.19180 191.5
[M+CH3COO]- 366.20745 185.9
[M+Na-2H]- 328.16827 178.1
[M]+ 307.19305 172.2
[M]- 307.19415 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.