CID 388873

Nsc684066

Structural Information

Molecular Formula
C8H10N4O3
SMILES
CCC1=NNC(=O)N1N2C(=O)CCC2=O
InChI
InChI=1S/C8H10N4O3/c1-2-5-9-10-8(15)11(5)12-6(13)3-4-7(12)14/h2-4H2,1H3,(H,10,15)
InChIKey
BLXFZKLEGGRADN-UHFFFAOYSA-N
Compound name
1-(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.07529 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08257 143.8
[M+Na]+ 233.06451 154.4
[M-H]- 209.06801 145.1
[M+NH4]+ 228.10911 160.3
[M+K]+ 249.03845 151.5
[M+H-H2O]+ 193.07255 135.9
[M+HCOO]- 255.07349 163.1
[M+CH3COO]- 269.08914 182.2
[M+Na-2H]- 231.04996 144.1
[M]+ 210.07474 143.4
[M]- 210.07584 143.4
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.