CID 45790088

N-boc-9-azabicyclo[3.3.1]nonan-3-one

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N1C2CCCC1CC(=O)C2
InChI
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-9-5-4-6-10(14)8-11(15)7-9/h9-10H,4-8H2,1-3H3
InChIKey
YEKYAQUJESJBFI-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

239.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 155.3
[M+Na]+ 262.14137 164.3
[M+NH4]+ 257.18597 162.6
[M+K]+ 278.11531 159.7
[M-H]- 238.14487 154.3
[M+Na-2H]- 260.12682 156.2
[M]+ 239.15160 156.0
[M]- 239.15270 156.0
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