CID 165821676

Tert-butyl4-oxo-2-azabicyclo[3.2.1]octane-2-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CC(=O)C2CCC1C2
InChI
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-7-10(14)8-4-5-9(13)6-8/h8-9H,4-7H2,1-3H3
InChIKey
FVAOBLVLJPXDON-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxo-2-azabicyclo[3.2.1]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 153.2
[M+Na]+ 248.12571 159.5
[M-H]- 224.12921 154.3
[M+NH4]+ 243.17031 173.8
[M+K]+ 264.09965 158.3
[M+H-H2O]+ 208.13375 148.3
[M+HCOO]- 270.13469 168.4
[M+CH3COO]- 284.15034 189.0
[M+Na-2H]- 246.11116 156.0
[M]+ 225.13594 152.8
[M]- 225.13704 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

No patent data available for this compound.