CID 58574842

1312456-05-5

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(C)(C)OC(=O)N1C2CCC1CNC(=O)C2
InChI
InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-8-4-5-9(14)7-13-10(15)6-8/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKey
FZDUEORZXQGBEC-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

240.1474 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15468 152.8
[M+Na]+ 263.13662 158.2
[M+NH4]+ 258.18122 158.0
[M+K]+ 279.11056 158.3
[M-H]- 239.14012 149.6
[M+Na-2H]- 261.12207 152.2
[M]+ 240.14685 152.2
[M]- 240.14795 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

No literature data available for this compound.

Patent stripe

patents stripe