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 179.2
[M+Na]+ 339.20432 182.5
[M-H]- 315.20782 182.7
[M+NH4]+ 334.24892 195.3
[M+K]+ 355.17826 179.1
[M+H-H2O]+ 299.21236 171.7
[M+HCOO]- 361.21330 194.2
[M+CH3COO]- 375.22895 209.4
[M+Na-2H]- 337.18977 181.0
[M]+ 316.21455 177.2
[M]- 316.21565 177.2
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

patents stripe