CID 51072284

Tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate

Structural Information

Molecular Formula
C13H23N3O3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCCN2
InChI
InChI=1S/C13H23N3O3/c1-12(2,3)19-11(18)16-8-4-13(5-9-16)10(17)14-6-7-15-13/h15H,4-9H2,1-3H3,(H,14,17)
InChIKey
ITPNIORBIVFCKC-UHFFFAOYSA-N
Compound name
tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

269.17395 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18123 165.4
[M+Na]+ 292.16317 172.6
[M+NH4]+ 287.20777 171.5
[M+K]+ 308.13711 167.7
[M-H]- 268.16667 163.3
[M+Na-2H]- 290.14862 168.0
[M]+ 269.17340 165.4
[M]- 269.17450 165.4
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