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]+ 146.056016 126.1
[M+Na]+ 168.037958 136.4
[M-H]- 144.041464 122.5
[M+NH4]+ 163.082563 143.4
[M+K]+ 184.011898 133.2
[M+H-H2O]+ 128.046000 119.6
[M+HCOO]- 190.046941 145.4
[M+CH3COO]- 204.062591 163.9
[M+Na-2H]- 166.023406 131.2
[M]+ 145.04819142 124.3
[M]- 145.04928858 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.