CID 10015184

Tert-butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NC2
InChI
InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-6-4-13(5-7-15)8-10(16)14-9-13/h4-9H2,1-3H3,(H,14,16)
InChIKey
HNMWIKVFYHYBKX-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

245
Patents

254.16304 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.170316 162.1
[M+Na]+ 277.152258 166.8
[M-H]- 253.155764 162.8
[M+NH4]+ 272.196863 179.7
[M+K]+ 293.126198 164.8
[M+H-H2O]+ 237.160300 155.8
[M+HCOO]- 299.161241 174.6
[M+CH3COO]- 313.176891 188.2
[M+Na-2H]- 275.137706 163.7
[M]+ 254.16249142 156.7
[M]- 254.16358858 156.7
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