CID 91666801

Tert-butyl (1s,5r)-2,6-diazabicyclo(3.2.1)octane-6-carboxylate

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CCN2
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-8-6-9(13)4-5-12-8/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKey
CDVPWYPEOYZEIG-DTWKUNHWSA-N
Compound name
tert-butyl (1S,5R)-2,6-diazabicyclo[3.2.1]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

212.15248 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 150.2
[M+Na]+ 235.14170 157.7
[M+NH4]+ 230.18630 157.1
[M+K]+ 251.11564 155.6
[M-H]- 211.14520 147.8
[M+Na-2H]- 233.12715 150.1
[M]+ 212.15193 150.1
[M]- 212.15303 150.1
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.