CID 147318743

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

Structural Information

Molecular Formula
C3H6N4O2
SMILES
CN1C(=O)N(C(=O)N1)N
InChI
InChI=1S/C3H6N4O2/c1-6-3(9)7(4)2(8)5-6/h4H2,1H3,(H,5,8)
InChIKey
CZJRBSRCXYFZMD-UHFFFAOYSA-N
Compound name
4-amino-1-methyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.04907 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.056346 121.4
[M+Na]+ 153.038288 133.3
[M-H]- 129.041794 120.7
[M+NH4]+ 148.082893 140.6
[M+K]+ 169.012228 131.1
[M+H-H2O]+ 113.046330 114.8
[M+HCOO]- 175.047271 144.4
[M+CH3COO]- 189.062921 169.2
[M+Na-2H]- 151.023736 126.8
[M]+ 130.04852142 120.3
[M]- 130.04961858 120.3
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.