CID 85253

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

Structural Information

Molecular Formula
C4H7N3O2
SMILES
CCN1C(=O)NNC1=O
InChI
InChI=1S/C4H7N3O2/c1-2-7-3(8)5-6-4(7)9/h2H2,1H3,(H,5,8)(H,6,9)
InChIKey
FTLPCUOUNXWZMN-UHFFFAOYSA-N
Compound name
4-ethyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

129.05383 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.061106 122.5
[M+Na]+ 152.043048 133.4
[M-H]- 128.046554 120.3
[M+NH4]+ 147.087653 141.3
[M+K]+ 168.016988 130.6
[M+H-H2O]+ 112.051090 116.0
[M+HCOO]- 174.052031 143.2
[M+CH3COO]- 188.067681 164.2
[M+Na-2H]- 150.028496 128.1
[M]+ 129.05328142 121.2
[M]- 129.05437858 121.2
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