CID 72916

Urazole

Structural Information

Molecular Formula
C2H3N3O2
SMILES
C1(=O)NC(=O)NN1
InChI
InChI=1S/C2H3N3O2/c6-1-3-2(7)5-4-1/h(H3,3,4,5,6,7)
InChIKey
UDATXMIGEVPXTR-UHFFFAOYSA-N
Compound name
1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

28
References

9356
Patents

101.02253 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.02981 114.7
[M+Na]+ 124.01175 125.2
[M-H]- 100.01525 111.1
[M+NH4]+ 119.05635 133.6
[M+K]+ 139.98569 122.0
[M+H-H2O]+ 84.019790 108.5
[M+HCOO]- 146.02073 134.5
[M+CH3COO]- 160.03638 154.5
[M+Na-2H]- 121.99720 121.6
[M]+ 101.02198 110.4
[M]- 101.02308 110.4
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.