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]+ 227.13902 154.3
[M+Na]+ 249.12096 160.6
[M-H]- 225.12446 152.7
[M+NH4]+ 244.16556 172.8
[M+K]+ 265.09490 158.7
[M+H-H2O]+ 209.12900 148.9
[M+HCOO]- 271.12994 167.1
[M+CH3COO]- 285.14559 186.2
[M+Na-2H]- 247.10641 157.0
[M]+ 226.13119 152.2
[M]- 226.13229 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.