CID 167736856

Tert-butyl 1-amino-5-methyl-3-azabicyclo[3.1.1]heptane-3-carboxylate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC12CC(C1)(CN(C2)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C12H22N2O2/c1-10(2,3)16-9(15)14-7-11(4)5-12(13,6-11)8-14/h5-8,13H2,1-4H3
InChIKey
GPOGBEPYTYJYIT-UHFFFAOYSA-N
Compound name
tert-butyl 1-amino-5-methyl-3-azabicyclo[3.1.1]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 172.8
[M+Na]+ 249.15734 177.1
[M-H]- 225.16084 169.8
[M+NH4]+ 244.20194 190.8
[M+K]+ 265.13128 178.9
[M+H-H2O]+ 209.16538 164.3
[M+HCOO]- 271.16632 182.0
[M+CH3COO]- 285.18197 198.1
[M+Na-2H]- 247.14279 181.2
[M]+ 226.16757 183.6
[M]- 226.16867 183.6
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.