CID 22490277

313238-53-8

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)N1CC2CNCC(C1)C2O
InChI
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-6-8-4-13-5-9(7-14)10(8)15/h8-10,13,15H,4-7H2,1-3H3
InChIKey
NXIZCOXUZZYOOJ-UHFFFAOYSA-N
Compound name
tert-butyl 9-hydroxy-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

242.16304 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17032 160.0
[M+Na]+ 265.15226 164.2
[M-H]- 241.15576 156.3
[M+NH4]+ 260.19686 175.2
[M+K]+ 281.12620 161.9
[M+H-H2O]+ 225.16030 153.9
[M+HCOO]- 287.16124 168.4
[M+CH3COO]- 301.17689 188.2
[M+Na-2H]- 263.13771 163.2
[M]+ 242.16249 155.0
[M]- 242.16359 155.0
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

patents stripe