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

14
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 125.5
[M+Na]+ 166.05869 137.5
[M-H]- 142.06219 125.0
[M+NH4]+ 161.10329 144.9
[M+K]+ 182.03263 135.3
[M+H-H2O]+ 126.06673 119.0
[M+HCOO]- 188.06767 147.4
[M+CH3COO]- 202.08332 170.9
[M+Na-2H]- 164.04414 130.5
[M]+ 143.06892 126.9
[M]- 143.07002 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