CID 67235742

Tert-butyl 4-amino-2-azabicyclo[2.2.2]octane-2-carboxylate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC2(CCC1CC2)N
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-12(13)6-4-9(14)5-7-12/h9H,4-8,13H2,1-3H3
InChIKey
LLZODIZNEBXFNN-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-2-azabicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

226.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 158.1
[M+Na]+ 249.15734 161.7
[M-H]- 225.16084 152.6
[M+NH4]+ 244.20194 180.9
[M+K]+ 265.13128 160.4
[M+H-H2O]+ 209.16538 153.5
[M+HCOO]- 271.16632 166.0
[M+CH3COO]- 285.18197 195.5
[M+Na-2H]- 247.14279 167.9
[M]+ 226.16757 158.4
[M]- 226.16867 158.4
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