CID 67168773

Tert-butyl 6,8-dioxo-2,5,7-triazaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C(=O)NC(=O)N2
InChI
InChI=1S/C10H15N3O4/c1-9(2,3)17-8(16)13-4-10(5-13)6(14)11-7(15)12-10/h4-5H2,1-3H3,(H2,11,12,14,15)
InChIKey
DZIWEJOTBPPHPS-UHFFFAOYSA-N
Compound name
tert-butyl 6,8-dioxo-2,5,7-triazaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

241.10626 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 156.2
[M+Na]+ 264.09548 161.9
[M-H]- 240.09898 155.3
[M+NH4]+ 259.14008 166.0
[M+K]+ 280.06942 162.8
[M+H-H2O]+ 224.10352 145.8
[M+HCOO]- 286.10446 168.2
[M+CH3COO]- 300.12011 187.0
[M+Na-2H]- 262.08093 158.0
[M]+ 241.10571 161.8
[M]- 241.10681 161.8
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