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

53
Patents

316.2151 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.222376 179.2
[M+Na]+ 339.204318 182.5
[M-H]- 315.207824 182.7
[M+NH4]+ 334.248923 195.3
[M+K]+ 355.178258 179.1
[M+H-H2O]+ 299.212360 171.7
[M+HCOO]- 361.213301 194.2
[M+CH3COO]- 375.228951 209.4
[M+Na-2H]- 337.189766 181.0
[M]+ 316.21455142 177.2
[M]- 316.21564858 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