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

168
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 156.2
[M+Na]+ 262.14137 161.2
[M-H]- 238.14487 156.8
[M+NH4]+ 257.18597 174.3
[M+K]+ 278.11531 159.8
[M+H-H2O]+ 222.14941 150.5
[M+HCOO]- 284.15035 168.9
[M+CH3COO]- 298.16600 192.5
[M+Na-2H]- 260.12682 160.0
[M]+ 239.15160 154.1
[M]- 239.15270 154.1
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