CID 145874513

Tert-butyl 5-amino-2-azabicyclo[4.2.0]octane-2-carboxylate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C2C1CC2)N
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-6-9(13)8-4-5-10(8)14/h8-10H,4-7,13H2,1-3H3
InChIKey
STNLXBOEVNCCSZ-UHFFFAOYSA-N
Compound name
tert-butyl 5-amino-2-azabicyclo[4.2.0]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 156.9
[M+Na]+ 249.15734 160.4
[M+NH4]+ 244.20194 159.9
[M+K]+ 265.13128 158.3
[M-H]- 225.16084 154.1
[M+Na-2H]- 247.14279 155.6
[M]+ 226.16757 155.1
[M]- 226.16867 155.1
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.