CID 50853202

Tert-butyl 2-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate

Structural Information

Molecular Formula
C12H21N3O3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)NCC(=O)N2
InChI
InChI=1S/C12H21N3O3/c1-11(2,3)18-10(17)15-6-4-12(5-7-15)13-8-9(16)14-12/h13H,4-8H2,1-3H3,(H,14,16)
InChIKey
IOZYREZEVMLRIZ-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

255.1583 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16558 163.1
[M+Na]+ 278.14752 167.8
[M-H]- 254.15102 161.2
[M+NH4]+ 273.19212 178.5
[M+K]+ 294.12146 165.1
[M+H-H2O]+ 238.15556 156.3
[M+HCOO]- 300.15650 173.1
[M+CH3COO]- 314.17215 185.7
[M+Na-2H]- 276.13297 164.6
[M]+ 255.15775 156.0
[M]- 255.15885 156.0
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