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]+ 213.159756 165.8
[M+Na]+ 235.141698 169.5
[M-H]- 211.145204 162.7
[M+NH4]+ 230.186303 182.4
[M+K]+ 251.115638 171.7
[M+H-H2O]+ 195.149740 156.7
[M+HCOO]- 257.150681 175.5
[M+CH3COO]- 271.166331 195.5
[M+Na-2H]- 233.127146 173.9
[M]+ 212.15193142 176.0
[M]- 212.15302858 176.0
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.