CID 84701993

1784807-21-1

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(C)(C)OC(=O)N1CC2CCC(C1)NC2=O
InChI
InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-6-8-4-5-9(7-14)13-10(8)15/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKey
PDTLUVMGYJWBHZ-UHFFFAOYSA-N
Compound name
tert-butyl 7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15468 144.4
[M+Na]+ 263.13662 147.6
[M+NH4]+ 258.18122 149.2
[M+K]+ 279.11056 147.7
[M-H]- 239.14012 139.6
[M+Na-2H]- 261.12207 141.4
[M]+ 240.14685 143.2
[M]- 240.14795 143.2
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.