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

14
Patents

255.1219 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 159.8
[M+Na]+ 278.11112 166.6
[M-H]- 254.11462 159.1
[M+NH4]+ 273.15572 177.2
[M+K]+ 294.08506 164.4
[M+H-H2O]+ 238.11916 154.3
[M+HCOO]- 300.12010 172.7
[M+CH3COO]- 314.13575 185.2
[M+Na-2H]- 276.09657 160.1
[M]+ 255.12135 155.7
[M]- 255.12245 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