CID 167737075

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

Structural Information

Molecular Formula
C10H17N3O3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)NCC(=O)N2
InChI
InChI=1S/C10H17N3O3/c1-9(2,3)16-8(15)13-5-10(6-13)11-4-7(14)12-10/h11H,4-6H2,1-3H3,(H,12,14)
InChIKey
OJIAVQLQYNQNKA-UHFFFAOYSA-N
Compound name
tert-butyl 7-oxo-2,5,8-triazaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.127 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13428 155.0
[M+Na]+ 250.11622 159.9
[M-H]- 226.11972 153.9
[M+NH4]+ 245.16082 165.4
[M+K]+ 266.09016 160.8
[M+H-H2O]+ 210.12426 144.3
[M+HCOO]- 272.12520 166.8
[M+CH3COO]- 286.14085 184.5
[M+Na-2H]- 248.10167 157.3
[M]+ 227.12645 159.6
[M]- 227.12755 159.6
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

No patent data available for this compound.