CID 137951837

Rac-tert-butyl (1r,5s,6r)-6-(aminomethyl)-3-azabicyclo[3.2.0]heptane-3-carboxylate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([C@@H]2C1)CN
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-9-4-8(5-13)10(9)7-14/h8-10H,4-7,13H2,1-3H3/t8-,9-,10-/m0/s1
InChIKey
FCJBARVASXPTHS-GUBZILKMSA-N
Compound name
tert-butyl (1R,5S,6R)-6-(aminomethyl)-3-azabicyclo[3.2.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 157.0
[M+Na]+ 249.15734 159.4
[M+NH4]+ 244.20194 159.7
[M+K]+ 265.13128 159.3
[M-H]- 225.16084 153.4
[M+Na-2H]- 247.14279 154.7
[M]+ 226.16757 154.7
[M]- 226.16867 154.7
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.