CID 388174

Nsc682739

Structural Information

Molecular Formula
C10H17N3O3
SMILES
CCCC(=O)N1C(=O)N(C(=O)N1)C(C)(C)C
InChI
InChI=1S/C10H17N3O3/c1-5-6-7(14)13-9(16)12(8(15)11-13)10(2,3)4/h5-6H2,1-4H3,(H,11,15)
InChIKey
YUQDBUAHIJJIOQ-UHFFFAOYSA-N
Compound name
1-butanoyl-4-tert-butyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.127 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13428 150.6
[M+Na]+ 250.11622 160.8
[M-H]- 226.11972 150.0
[M+NH4]+ 245.16082 166.7
[M+K]+ 266.09016 158.4
[M+H-H2O]+ 210.12426 144.2
[M+HCOO]- 272.12520 168.8
[M+CH3COO]- 286.14085 187.1
[M+Na-2H]- 248.10167 153.0
[M]+ 227.12645 153.3
[M]- 227.12755 153.3
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.