CID 390095

Nsc687038

Structural Information

Molecular Formula
C10H19N3O2
SMILES
CC(C)(C)N1C(=O)NC(=O)N1C(C)(C)C
InChI
InChI=1S/C10H19N3O2/c1-9(2,3)12-7(14)11-8(15)13(12)10(4,5)6/h1-6H3,(H,11,14,15)
InChIKey
XWBTWXWRGYEDOW-UHFFFAOYSA-N
Compound name
1,2-ditert-butyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.14772 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.15500 149.8
[M+Na]+ 236.13694 160.5
[M-H]- 212.14044 149.4
[M+NH4]+ 231.18154 166.8
[M+K]+ 252.11088 158.1
[M+H-H2O]+ 196.14498 144.2
[M+HCOO]- 258.14592 166.9
[M+CH3COO]- 272.16157 185.5
[M+Na-2H]- 234.12239 154.1
[M]+ 213.14717 151.8
[M]- 213.14827 151.8
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

No patent data available for this compound.