CID 121602891

4-(2-hydroxyethyl)-1,2,4-triazolidine-3,5-dione

Structural Information

Molecular Formula
C4H7N3O3
SMILES
C(CO)N1C(=O)NNC1=O
InChI
InChI=1S/C4H7N3O3/c8-2-1-7-3(9)5-6-4(7)10/h8H,1-2H2,(H,5,9)(H,6,10)
InChIKey
ITQGPTDVQYCWAT-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.04874 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.05602 127.5
[M+Na]+ 168.03796 137.4
[M+NH4]+ 163.08256 132.2
[M+K]+ 184.01190 136.2
[M-H]- 144.04146 123.9
[M+Na-2H]- 166.02341 130.1
[M]+ 145.04819 127.3
[M]- 145.04929 127.3
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.