CID 146049539

2411315-04-1

Structural Information

Molecular Formula
C6H6IN3O2
SMILES
C1C(N2C(=C(C=N2)I)C(=O)N1)O
InChI
InChI=1S/C6H6IN3O2/c7-3-1-9-10-4(11)2-8-6(12)5(3)10/h1,4,11H,2H2,(H,8,12)
InChIKey
WUSBYSNLOSAAEH-UHFFFAOYSA-N
Compound name
7-hydroxy-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.95047 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.95775 135.4
[M+Na]+ 301.93969 138.3
[M-H]- 277.94319 127.1
[M+NH4]+ 296.98429 148.8
[M+K]+ 317.91363 140.8
[M+H-H2O]+ 261.94773 125.5
[M+HCOO]- 323.94867 147.6
[M+CH3COO]- 337.96432 182.1
[M+Na-2H]- 299.92514 129.0
[M]+ 278.94992 130.0
[M]- 278.95102 130.0
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.