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
3
Annotation Hits

28
References

7600
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

literature stripe

Patent stripe

patents stripe