CID 117762631

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

Structural Information

Molecular Formula
C5H9N3O2
SMILES
CCN1C(=O)NN(C1=O)C
InChI
InChI=1S/C5H9N3O2/c1-3-8-4(9)6-7(2)5(8)10/h3H2,1-2H3,(H,6,9)
InChIKey
GZFSMKGFYXZGED-UHFFFAOYSA-N
Compound name
4-ethyl-1-methyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

143.06947 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.076746 125.5
[M+Na]+ 166.058688 137.5
[M-H]- 142.062194 125.0
[M+NH4]+ 161.103293 144.9
[M+K]+ 182.032628 135.3
[M+H-H2O]+ 126.066730 119.0
[M+HCOO]- 188.067671 147.4
[M+CH3COO]- 202.083321 170.9
[M+Na-2H]- 164.044136 130.5
[M]+ 143.06892142 126.9
[M]- 143.07001858 126.9
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

patents stripe