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 156.5
[M+Na]+ 249.15734 160.7
[M-H]- 225.16084 158.6
[M+NH4]+ 244.20194 169.5
[M+K]+ 265.13128 162.5
[M+H-H2O]+ 209.16538 145.8
[M+HCOO]- 271.16632 172.8
[M+CH3COO]- 285.18197 195.4
[M+Na-2H]- 247.14279 157.3
[M]+ 226.16757 163.9
[M]- 226.16867 163.9
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

No patent data available for this compound.