CID 118798342

Tert-butyl 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate

Structural Information

Molecular Formula
C13H23N3O3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNCC(=O)N2
InChI
InChI=1S/C13H23N3O3/c1-12(2,3)19-11(18)16-6-4-13(5-7-16)9-14-8-10(17)15-13/h14H,4-9H2,1-3H3,(H,15,17)
InChIKey
UGNMVPZKSAAWFS-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

269.17395 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18123 167.7
[M+Na]+ 292.16317 171.1
[M-H]- 268.16667 165.1
[M+NH4]+ 287.20777 180.5
[M+K]+ 308.13711 168.2
[M+H-H2O]+ 252.17121 160.1
[M+HCOO]- 314.17215 175.1
[M+CH3COO]- 328.18780 189.4
[M+Na-2H]- 290.14862 170.2
[M]+ 269.17340 158.8
[M]- 269.17450 158.8
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