CID 239775

4-amino-1,2,4-triazolidine-3,5-dione

Structural Information

Molecular Formula
C2H4N4O2
SMILES
C1(=O)NNC(=O)N1N
InChI
InChI=1S/C2H4N4O2/c3-6-1(7)4-5-2(6)8/h3H2,(H,4,7)(H,5,8)
InChIKey
BWFMTHGMFVQPSE-UHFFFAOYSA-N
Compound name
4-amino-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

571
Patents

116.033424 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.040700 117.8
[M+Na]+ 139.022642 128.7
[M-H]- 115.026148 115.5
[M+NH4]+ 134.067247 136.5
[M+K]+ 154.996582 125.9
[M+H-H2O]+ 99.030684 111.2
[M+HCOO]- 161.031625 139.6
[M+CH3COO]- 175.047275 162.6
[M+Na-2H]- 137.008090 123.9
[M]+ 116.03287542 114.0
[M]- 116.03397258 114.0
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