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 131.8
[M+Na]+ 297.94479 137.8
[M-H]- 273.94829 125.7
[M+NH4]+ 292.98939 146.5
[M+K]+ 313.91873 139.7
[M+H-H2O]+ 257.95283 121.7
[M+HCOO]- 319.95377 149.1
[M+CH3COO]- 333.96942 142.1
[M+Na-2H]- 295.93024 128.3
[M]+ 274.95502 131.2
[M]- 274.95612 131.2
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.