CID 132371388

Tert-butyl 8-amino-2-azabicyclo[5.1.0]octane-2-carboxylate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCCCC2C1C2N
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-5-4-6-8-9(13)10(8)14/h8-10H,4-7,13H2,1-3H3
InChIKey
DMBGWVCELMTFCO-UHFFFAOYSA-N
Compound name
tert-butyl 8-amino-2-azabicyclo[5.1.0]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 147.0
[M+Na]+ 249.15734 152.7
[M-H]- 225.16084 151.2
[M+NH4]+ 244.20194 159.3
[M+K]+ 265.13128 154.5
[M+H-H2O]+ 209.16538 141.2
[M+HCOO]- 271.16632 163.1
[M+CH3COO]- 285.18197 196.9
[M+Na-2H]- 247.14279 150.5
[M]+ 226.16757 145.1
[M]- 226.16867 145.1
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.