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

19
Patents

240.1474 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.154676 153.9
[M+Na]+ 263.136618 158.6
[M-H]- 239.140124 154.0
[M+NH4]+ 258.181223 170.8
[M+K]+ 279.110558 160.0
[M+H-H2O]+ 223.144660 148.1
[M+HCOO]- 285.145601 166.3
[M+CH3COO]- 299.161251 190.5
[M+Na-2H]- 261.122066 156.2
[M]+ 240.14685142 149.3
[M]- 240.14794858 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