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

10
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 157.7
[M+Na]+ 265.15226 162.1
[M-H]- 241.15576 158.5
[M+NH4]+ 260.19686 173.9
[M+K]+ 281.12620 162.2
[M+H-H2O]+ 225.16030 151.7
[M+HCOO]- 287.16124 170.1
[M+CH3COO]- 301.17689 194.9
[M+Na-2H]- 263.13771 162.2
[M]+ 242.16249 154.8
[M]- 242.16359 154.8
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