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-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

226.16812 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 155.6
[M+Na]+ 249.157338 159.4
[M-H]- 225.160844 154.8
[M+NH4]+ 244.201943 174.9
[M+K]+ 265.131278 157.4
[M+H-H2O]+ 209.165380 150.2
[M+HCOO]- 271.166321 170.0
[M+CH3COO]- 285.181971 189.0
[M+Na-2H]- 247.142786 158.9
[M]+ 226.16757142 151.4
[M]- 226.16866858 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