CID 67234236

1357352-04-5

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CCC1C(C2)N
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-8-4-5-10(14)9(13)6-8/h8-10H,4-7,13H2,1-3H3
InChIKey
VOJMZLZBOIHIRI-UHFFFAOYSA-N
Compound name
tert-butyl 6-amino-2-azabicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

226.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 157.5
[M+Na]+ 249.15734 160.9
[M-H]- 225.16084 152.1
[M+NH4]+ 244.20194 178.7
[M+K]+ 265.13128 159.7
[M+H-H2O]+ 209.16538 153.1
[M+HCOO]- 271.16632 165.6
[M+CH3COO]- 285.18197 197.1
[M+Na-2H]- 247.14279 165.8
[M]+ 226.16757 157.9
[M]- 226.16867 157.9
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

patents stripe