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
1
Annotation Hits

0
References

244
Patents

216.16264 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 149.9
[M+Na]+ 239.15186 155.2
[M-H]- 215.15536 153.4
[M+NH4]+ 234.19646 169.9
[M+K]+ 255.12580 150.8
[M+H-H2O]+ 199.15990 142.5
[M+HCOO]- 261.16084 168.1
[M+CH3COO]- 275.17649 161.1
[M+Na-2H]- 237.13731 153.4
[M]+ 216.16209 144.4
[M]- 216.16319 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