CID 165604707

Tert-butyl 4-oxo-2-azabicyclo[3.1.1]heptane-2-carboxylate

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)N1CC(=O)C2CC1C2
InChI
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-6-9(13)7-4-8(12)5-7/h7-8H,4-6H2,1-3H3
InChIKey
VKJCMYVMVHERJQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxo-2-azabicyclo[3.1.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.12085 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 145.4
[M+Na]+ 234.11007 149.8
[M+NH4]+ 229.15467 149.7
[M+K]+ 250.08401 147.4
[M-H]- 210.11357 138.9
[M+Na-2H]- 232.09552 140.4
[M]+ 211.12030 142.8
[M]- 211.12140 142.8
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.