CID 11970636

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

Structural Information

Molecular Formula
C8H15N3O5
SMILES
C(CO)N1C(=O)N(N(C1=O)CCO)CCO
InChI
InChI=1S/C8H15N3O5/c12-4-1-9-7(15)10(2-5-13)11(3-6-14)8(9)16/h12-14H,1-6H2
InChIKey
ALVBRJRQOKFZPA-UHFFFAOYSA-N
Compound name
1,2,4-tris(2-hydroxyethyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

233.10117 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.108446 148.1
[M+Na]+ 256.090388 158.1
[M-H]- 232.093894 144.6
[M+NH4]+ 251.134993 162.3
[M+K]+ 272.064328 155.1
[M+H-H2O]+ 216.098430 141.2
[M+HCOO]- 278.099371 166.4
[M+CH3COO]- 292.115021 183.0
[M+Na-2H]- 254.075836 150.0
[M]+ 233.10062142 151.4
[M]- 233.10171858 151.4
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

patents stripe