CID 179547

Dialuric acid

Structural Information

Molecular Formula
C4H4N2O4
SMILES
C1(C(=O)NC(=O)NC1=O)O
InChI
InChI=1S/C4H4N2O4/c7-1-2(8)5-4(10)6-3(1)9/h1,7H,(H2,5,6,8,9,10)
InChIKey
BVEWMNTVZPFPQI-UHFFFAOYSA-N
Compound name
5-hydroxy-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

59
References

289
Patents

144.0171 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.02438 127.3
[M+Na]+ 167.00632 136.6
[M+NH4]+ 162.05092 132.2
[M+K]+ 182.98026 134.2
[M-H]- 143.00982 124.3
[M+Na-2H]- 164.99177 128.8
[M]+ 144.01655 127.1
[M]- 144.01765 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe