CID 71756687

Tert-butyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)C(=O)NC(=O)N2
InChI
InChI=1S/C11H17N3O4/c1-10(2,3)18-9(17)14-5-4-11(6-14)7(15)12-8(16)13-11/h4-6H2,1-3H3,(H2,12,13,15,16)
InChIKey
VLKKAIKVRQFMFD-UHFFFAOYSA-N
Compound name
tert-butyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

255.1219 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.129176 159.8
[M+Na]+ 278.111118 166.6
[M-H]- 254.114624 159.1
[M+NH4]+ 273.155723 177.2
[M+K]+ 294.085058 164.4
[M+H-H2O]+ 238.119160 154.3
[M+HCOO]- 300.120101 172.7
[M+CH3COO]- 314.135751 185.2
[M+Na-2H]- 276.096566 160.1
[M]+ 255.12135142 155.7
[M]- 255.12244858 155.7
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