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 126.1
[M+Na]+ 168.03796 136.4
[M-H]- 144.04146 122.5
[M+NH4]+ 163.08256 143.4
[M+K]+ 184.01190 133.2
[M+H-H2O]+ 128.04600 119.6
[M+HCOO]- 190.04694 145.4
[M+CH3COO]- 204.06259 163.9
[M+Na-2H]- 166.02341 131.2
[M]+ 145.04819 124.3
[M]- 145.04929 124.3
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.