CID 137032178

7-iodo-1h,2h,3h-pyrazolo[1,5-a]imidazole

Structural Information

Molecular Formula
C5H6IN3
SMILES
C1CN2C(=C(C=N2)I)N1
InChI
InChI=1S/C5H6IN3/c6-4-3-8-9-2-1-7-5(4)9/h3,7H,1-2H2
InChIKey
RKXGRNFCLSOQKL-UHFFFAOYSA-N
Compound name
7-iodo-2,3-dihydro-1H-imidazo[1,2-b]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.96065 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.96793 123.4
[M+Na]+ 257.94987 126.2
[M-H]- 233.95337 116.4
[M+NH4]+ 252.99447 140.6
[M+K]+ 273.92381 129.9
[M+H-H2O]+ 217.95791 113.4
[M+HCOO]- 279.95885 139.1
[M+CH3COO]- 293.97450 133.2
[M+Na-2H]- 255.93532 117.8
[M]+ 234.96010 118.9
[M]- 234.96120 118.9
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.