CID 363511

Nsc628443

Structural Information

Molecular Formula
C4H4N4O4
SMILES
C1(NC(=O)N2N1C(=O)NC2=O)O
InChI
InChI=1S/C4H4N4O4/c9-1-5-2(10)8-4(12)6-3(11)7(1)8/h1,9H,(H,5,10)(H,6,11,12)
InChIKey
KPLHEIHNRIXGJW-UHFFFAOYSA-N
Compound name
1-hydroxy-1,2-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,5,7-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.02325 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03053 131.4
[M+Na]+ 195.01247 143.7
[M-H]- 171.01597 128.4
[M+NH4]+ 190.05707 149.2
[M+K]+ 210.98641 140.4
[M+H-H2O]+ 155.02051 125.4
[M+HCOO]- 217.02145 148.9
[M+CH3COO]- 231.03710 169.5
[M+Na-2H]- 192.99792 134.4
[M]+ 172.02270 130.1
[M]- 172.02380 130.1
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.