CID 105484061

Tert-butyl 1-amino-3-azabicyclo[3.2.1]octane-3-carboxylate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CCC(C2)(C1)N
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-7-9-4-5-12(13,6-9)8-14/h9H,4-8,13H2,1-3H3
InChIKey
LUKNMMRQVQVREC-UHFFFAOYSA-N
Compound name
tert-butyl 1-amino-3-azabicyclo[3.2.1]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.16812 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 155.4
[M+Na]+ 249.157338 160.7
[M-H]- 225.160844 155.8
[M+NH4]+ 244.201943 177.3
[M+K]+ 265.131278 159.3
[M+H-H2O]+ 209.165380 150.6
[M+HCOO]- 271.166321 170.7
[M+CH3COO]- 285.181971 190.4
[M+Na-2H]- 247.142786 159.4
[M]+ 226.16757142 152.5
[M]- 226.16866858 152.5
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

patents stripe