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 155.9
[M+Na]+ 249.15734 159.5
[M-H]- 225.16084 157.6
[M+NH4]+ 244.20194 167.1
[M+K]+ 265.13128 161.6
[M+H-H2O]+ 209.16538 144.4
[M+HCOO]- 271.16632 170.2
[M+CH3COO]- 285.18197 195.8
[M+Na-2H]- 247.14279 158.0
[M]+ 226.16757 161.3
[M]- 226.16867 161.3
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.