CID 84701993

Tert-butyl 7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate

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]+ 241.154676 162.6
[M+Na]+ 263.136618 170.2
[M-H]- 239.140124 161.0
[M+NH4]+ 258.181223 180.0
[M+K]+ 279.110558 168.8
[M+H-H2O]+ 223.144660 161.8
[M+HCOO]- 285.145601 169.4
[M+CH3COO]- 299.161251 204.3
[M+Na-2H]- 261.122066 170.7
[M]+ 240.14685142 161.9
[M]- 240.14794858 161.9
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.