CID 155819702

Rac-tert-butyl (1r,5r,6r)-6-amino-3-azabicyclo[3.2.2]nonane-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H](C2)N
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-9-4-5-10(8-15)11(14)6-9/h9-11H,4-8,14H2,1-3H3/t9-,10-,11-/m1/s1
InChIKey
WYFCOCAXBGWPSW-GMTAPVOTSA-N
Compound name
tert-butyl (1R,5R,6R)-6-amino-3-azabicyclo[3.2.2]nonane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 164.3
[M+Na]+ 263.17300 170.9
[M-H]- 239.17650 164.3
[M+NH4]+ 258.21760 182.9
[M+K]+ 279.14694 170.0
[M+H-H2O]+ 223.18104 164.4
[M+HCOO]- 285.18198 172.9
[M+CH3COO]- 299.19763 208.7
[M+Na-2H]- 261.15845 171.7
[M]+ 240.18323 162.9
[M]- 240.18433 162.9
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

No patent data available for this compound.