CID 165605272

Tert-butyl 5,8-dioxo-2,6-diazaspiro[3.5]nonane-2-carboxylate

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)CNC2=O
InChI
InChI=1S/C12H18N2O4/c1-11(2,3)18-10(17)14-6-12(7-14)4-8(15)5-13-9(12)16/h4-7H2,1-3H3,(H,13,16)
InChIKey
PTDKUTIEWBZSGF-UHFFFAOYSA-N
Compound name
tert-butyl 5,8-dioxo-2,6-diazaspiro[3.5]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12666 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 158.2
[M+Na]+ 277.115878 163.1
[M-H]- 253.119384 159.3
[M+NH4]+ 272.160483 167.8
[M+K]+ 293.089818 164.7
[M+H-H2O]+ 237.123920 147.4
[M+HCOO]- 299.124861 170.3
[M+CH3COO]- 313.140511 192.8
[M+Na-2H]- 275.101326 161.2
[M]+ 254.12611142 164.0
[M]- 254.12720858 164.0
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

No patent data available for this compound.