CID 14774663

Exo-3-(boc-amino)-8-azabicyclo[3.2.1]octane

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)N2
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(7-10)13-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10?
InChIKey
UUHPKKKRSZBQIG-ULKQDVFKSA-N
Compound name
tert-butyl N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

226.16812 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 155.6
[M+Na]+ 249.15734 159.4
[M-H]- 225.16084 154.8
[M+NH4]+ 244.20194 174.9
[M+K]+ 265.13128 157.4
[M+H-H2O]+ 209.16538 150.2
[M+HCOO]- 271.16632 170.0
[M+CH3COO]- 285.18197 189.0
[M+Na-2H]- 247.14279 158.9
[M]+ 226.16757 151.4
[M]- 226.16867 151.4
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