CID 71305974

Tert-butyl 9-amino-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)N1CC2COCC(C1)C2N
InChI
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-4-8-6-16-7-9(5-14)10(8)13/h8-10H,4-7,13H2,1-3H3
InChIKey
QYBPHULJRAEWEO-UHFFFAOYSA-N
Compound name
tert-butyl 9-amino-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

242.16304 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17032 156.2
[M+Na]+ 265.15226 164.1
[M+NH4]+ 260.19686 163.1
[M+K]+ 281.12620 160.8
[M-H]- 241.15576 156.8
[M+Na-2H]- 263.13771 156.1
[M]+ 242.16249 157.1
[M]- 242.16359 157.1
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

patents stripe