CID 105466212

Tert-butyl 1-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CC(C2)(C1)N
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-6-8-4-11(12,5-8)7-13/h8H,4-7,12H2,1-3H3
InChIKey
XXBLRKGUIMTALW-UHFFFAOYSA-N
Compound name
tert-butyl 1-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.15248 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 150.2
[M+Na]+ 235.14170 153.2
[M+NH4]+ 230.18630 156.0
[M+K]+ 251.11564 148.9
[M-H]- 211.14520 144.3
[M+Na-2H]- 233.12715 146.4
[M]+ 212.15193 147.6
[M]- 212.15303 147.6
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.