CID 98056510

Rac-tert-butyl (1r,5s)-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carboxylate

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CNC[C@@H]1COC2
InChI
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-6-9-4-13-5-10(14)8-16-7-9/h9-10,13H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKey
ZGHUCBXISDUJRJ-VHSXEESVSA-N
Compound name
tert-butyl (1R,5S)-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17032 161.3
[M+Na]+ 265.15226 164.7
[M+NH4]+ 260.19686 165.2
[M+K]+ 281.12620 164.4
[M-H]- 241.15576 159.5
[M+Na-2H]- 263.13771 160.2
[M]+ 242.16249 161.0
[M]- 242.16359 161.0
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.