CID 177792566

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

Structural Information

Molecular Formula
C6H8IN3
SMILES
CN1CCN2C1=C(C=N2)I
InChI
InChI=1S/C6H8IN3/c1-9-2-3-10-6(9)5(7)4-8-10/h4H,2-3H2,1H3
InChIKey
XMELGYXZGRARGV-UHFFFAOYSA-N
Compound name
7-iodo-1-methyl-2,3-dihydroimidazo[2,1-e]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.97629 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.98357 126.0
[M+Na]+ 271.96551 129.7
[M-H]- 247.96901 120.5
[M+NH4]+ 267.01011 143.7
[M+K]+ 287.93945 134.0
[M+H-H2O]+ 231.97355 116.0
[M+HCOO]- 293.97449 142.8
[M+CH3COO]- 307.99014 136.4
[M+Na-2H]- 269.95096 119.8
[M]+ 248.97574 124.0
[M]- 248.97684 124.0
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.