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

24
Patents

255.1583 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.165576 163.1
[M+Na]+ 278.147518 167.8
[M-H]- 254.151024 161.2
[M+NH4]+ 273.192123 178.5
[M+K]+ 294.121458 165.1
[M+H-H2O]+ 238.155560 156.3
[M+HCOO]- 300.156501 173.1
[M+CH3COO]- 314.172151 185.7
[M+Na-2H]- 276.132966 164.6
[M]+ 255.15775142 156.0
[M]- 255.15884858 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