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 165.8
[M+Na]+ 235.14170 169.5
[M-H]- 211.14520 162.7
[M+NH4]+ 230.18630 182.4
[M+K]+ 251.11564 171.7
[M+H-H2O]+ 195.14974 156.7
[M+HCOO]- 257.15068 175.5
[M+CH3COO]- 271.16633 195.5
[M+Na-2H]- 233.12715 173.9
[M]+ 212.15193 176.0
[M]- 212.15303 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.