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

9
Patents

143.06947 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.07675 127.8
[M+Na]+ 166.05869 139.5
[M+NH4]+ 161.10329 133.7
[M+K]+ 182.03263 137.1
[M-H]- 142.06219 125.9
[M+Na-2H]- 164.04414 131.7
[M]+ 143.06892 128.5
[M]- 143.07002 128.5
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