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

13
Patents

242.16304 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.170316 157.7
[M+Na]+ 265.152258 162.1
[M-H]- 241.155764 158.5
[M+NH4]+ 260.196863 173.9
[M+K]+ 281.126198 162.2
[M+H-H2O]+ 225.160300 151.7
[M+HCOO]- 287.161241 170.1
[M+CH3COO]- 301.176891 194.9
[M+Na-2H]- 263.137706 162.2
[M]+ 242.16249142 154.8
[M]- 242.16358858 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