CID 165992233

Tert-butyl 4-amino-2-azabicyclo[3.1.1]heptane-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C2CC1C2)N
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-9(12)7-4-8(13)5-7/h7-9H,4-6,12H2,1-3H3
InChIKey
XOMXSCISNYISDF-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-2-azabicyclo[3.1.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.15248 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 164.0
[M+Na]+ 235.14170 167.4
[M-H]- 211.14520 160.8
[M+NH4]+ 230.18630 178.8
[M+K]+ 251.11564 169.9
[M+H-H2O]+ 195.14974 154.4
[M+HCOO]- 257.15068 173.7
[M+CH3COO]- 271.16633 197.1
[M+Na-2H]- 233.12715 170.5
[M]+ 212.15193 174.1
[M]- 212.15303 174.1
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.