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

402
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 126.1
[M+Na]+ 167.00632 134.7
[M-H]- 143.00982 123.3
[M+NH4]+ 162.05092 142.8
[M+K]+ 182.98026 131.9
[M+H-H2O]+ 127.01436 120.5
[M+HCOO]- 189.01530 142.1
[M+CH3COO]- 203.03095 164.6
[M+Na-2H]- 164.99177 130.2
[M]+ 144.01655 120.1
[M]- 144.01765 120.1
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