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[2,1-e]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]+ 235.967926 123.4
[M+Na]+ 257.949868 126.2
[M-H]- 233.953374 116.4
[M+NH4]+ 252.994473 140.6
[M+K]+ 273.923808 129.9
[M+H-H2O]+ 217.957910 113.4
[M+HCOO]- 279.958851 139.1
[M+CH3COO]- 293.974501 133.2
[M+Na-2H]- 255.935316 117.8
[M]+ 234.96010142 118.9
[M]- 234.96119858 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.