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

532
Patents

116.033424 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.04070 118.2
[M+Na]+ 139.02264 127.9
[M+NH4]+ 134.06725 123.5
[M+K]+ 154.99658 127.1
[M-H]- 115.02615 115.8
[M+Na-2H]- 137.00809 121.7
[M]+ 116.03288 118.2
[M]- 116.03397 118.2
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