CID 12832103

8-benzyl-8-azabicyclo[3.2.1]octan-3-amine

Structural Information

Molecular Formula
C14H20N2
SMILES
C1CC2CC(CC1N2CC3=CC=CC=C3)N
InChI
InChI=1S/C14H20N2/c15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2
InChIKey
TZWXPIKAEAYGPF-UHFFFAOYSA-N
Compound name
8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

254
Patents

216.16264 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 149.9
[M+Na]+ 239.151858 155.2
[M-H]- 215.155364 153.4
[M+NH4]+ 234.196463 169.9
[M+K]+ 255.125798 150.8
[M+H-H2O]+ 199.159900 142.5
[M+HCOO]- 261.160841 168.1
[M+CH3COO]- 275.176491 161.1
[M+Na-2H]- 237.137306 153.4
[M]+ 216.16209142 144.4
[M]- 216.16318858 144.4
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

patents stripe