CID 132354115

2138056-97-8

Structural Information

Molecular Formula
C7H6IN3O
SMILES
CC1=NN2C=CNC(=O)C2=C1I
InChI
InChI=1S/C7H6IN3O/c1-4-5(8)6-7(12)9-2-3-11(6)10-4/h2-3H,1H3,(H,9,12)
InChIKey
JBDFWYFHIYRKHZ-UHFFFAOYSA-N
Compound name
3-iodo-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.95557 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.96285 139.0
[M+Na]+ 297.94479 145.5
[M+NH4]+ 292.98939 142.3
[M+K]+ 313.91873 144.7
[M-H]- 273.94829 133.0
[M+Na-2H]- 295.93024 132.6
[M]+ 274.95502 137.1
[M]- 274.95612 137.1
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.