CID 162413833

Tert-butyl 7-oxo-3,6-diazabicyclo(3.2.1)octane-3-carboxylate

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CC(C)(C)OC(=O)N1CC2CC(C1)NC2=O
InChI
InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-5-7-4-8(6-13)12-9(7)14/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKey
MMQNRIVGGLJSCW-UHFFFAOYSA-N
Compound name
tert-butyl 7-oxo-3,6-diazabicyclo[3.2.1]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13174 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.139016 154.3
[M+Na]+ 249.120958 160.6
[M-H]- 225.124464 152.7
[M+NH4]+ 244.165563 172.8
[M+K]+ 265.094898 158.7
[M+H-H2O]+ 209.129000 148.9
[M+HCOO]- 271.129941 167.1
[M+CH3COO]- 285.145591 186.2
[M+Na-2H]- 247.106406 157.0
[M]+ 226.13119142 152.2
[M]- 226.13228858 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.