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]+ 241.191056 164.3
[M+Na]+ 263.172998 170.9
[M-H]- 239.176504 164.3
[M+NH4]+ 258.217603 182.9
[M+K]+ 279.146938 170.0
[M+H-H2O]+ 223.181040 164.4
[M+HCOO]- 285.181981 172.9
[M+CH3COO]- 299.197631 208.7
[M+Na-2H]- 261.158446 171.7
[M]+ 240.18323142 162.9
[M]- 240.18432858 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.