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]+ 243.170316 154.5
[M+Na]+ 265.152258 159.6
[M-H]- 241.155764 156.0
[M+NH4]+ 260.196863 167.4
[M+K]+ 281.126198 161.9
[M+H-H2O]+ 225.160300 149.8
[M+HCOO]- 287.161241 163.5
[M+CH3COO]- 301.176891 200.3
[M+Na-2H]- 263.137706 159.7
[M]+ 242.16249142 149.4
[M]- 242.16358858 149.4
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.