CID 83680181

Tert-butyl 6-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CC2CC(C1)C(=O)C2
InChI
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-6-8-4-9(7-13)10(14)5-8/h8-9H,4-7H2,1-3H3
InChIKey
ZTFPZHQDUXIZOG-UHFFFAOYSA-N
Compound name
tert-butyl 6-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

225.13649 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.143766 153.2
[M+Na]+ 248.125708 159.5
[M-H]- 224.129214 154.3
[M+NH4]+ 243.170313 173.8
[M+K]+ 264.099648 158.3
[M+H-H2O]+ 208.133750 148.3
[M+HCOO]- 270.134691 168.4
[M+CH3COO]- 284.150341 189.0
[M+Na-2H]- 246.111156 156.0
[M]+ 225.13594142 152.8
[M]- 225.13703858 152.8
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