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 153.9
[M+Na]+ 263.13662 158.6
[M-H]- 239.14012 154.0
[M+NH4]+ 258.18122 170.8
[M+K]+ 279.11056 160.0
[M+H-H2O]+ 223.14466 148.1
[M+HCOO]- 285.14560 166.3
[M+CH3COO]- 299.16125 190.5
[M+Na-2H]- 261.12207 156.2
[M]+ 240.14685 149.3
[M]- 240.14795 149.3
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