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

136
Patents

269.13754 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14482 164.0
[M+Na]+ 292.12676 169.7
[M-H]- 268.13026 162.5
[M+NH4]+ 287.17136 179.0
[M+K]+ 308.10070 167.1
[M+H-H2O]+ 252.13480 157.7
[M+HCOO]- 314.13574 174.3
[M+CH3COO]- 328.15139 188.4
[M+Na-2H]- 290.11221 165.2
[M]+ 269.13699 158.1
[M]- 269.13809 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