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 158.5
[M+Na]+ 234.11007 163.0
[M-H]- 210.11357 156.0
[M+NH4]+ 229.15467 173.9
[M+K]+ 250.08401 165.5
[M+H-H2O]+ 194.11811 149.5
[M+HCOO]- 256.11905 168.4
[M+CH3COO]- 270.13470 194.2
[M+Na-2H]- 232.09552 166.1
[M]+ 211.12030 171.1
[M]- 211.12140 171.1
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

No patent data available for this compound.