CID 3629994

Tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

Structural Information

Molecular Formula
C12H19N3O4
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC(=O)N2
InChI
InChI=1S/C12H19N3O4/c1-11(2,3)19-10(18)15-6-4-12(5-7-15)8(16)13-9(17)14-12/h4-7H2,1-3H3,(H2,13,14,16,17)
InChIKey
DHJXKTPWDXJQEK-UHFFFAOYSA-N
Compound name
tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

269.13754 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.144816 164.0
[M+Na]+ 292.126758 169.7
[M-H]- 268.130264 162.5
[M+NH4]+ 287.171363 179.0
[M+K]+ 308.100698 167.1
[M+H-H2O]+ 252.134800 157.7
[M+HCOO]- 314.135741 174.3
[M+CH3COO]- 328.151391 188.4
[M+Na-2H]- 290.112206 165.2
[M]+ 269.13699142 158.1
[M]- 269.13808858 158.1
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