CID 22570516

Tert-butyl 3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate

Structural Information

Molecular Formula
C19H28N2O2
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C2)NCC3=CC=CC=C3
InChI
InChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-16-9-10-17(21)12-15(11-16)20-13-14-7-5-4-6-8-14/h4-8,15-17,20H,9-13H2,1-3H3
InChIKey
SFSGQPRQMNUZTA-UHFFFAOYSA-N
Compound name
tert-butyl 3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

316.2151 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.22238 177.6
[M+Na]+ 339.20432 186.3
[M+NH4]+ 334.24892 185.1
[M+K]+ 355.17826 182.0
[M-H]- 315.20782 179.4
[M+Na-2H]- 337.18977 180.3
[M]+ 316.21455 179.1
[M]- 316.21565 179.1
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