CID 145710638

7-iodo-2h,3h-pyrazolo[3,2-b][1,3]oxazole

Structural Information

Molecular Formula
C5H5IN2O
SMILES
C1COC2=C(C=NN21)I
InChI
InChI=1S/C5H5IN2O/c6-4-3-7-8-1-2-9-5(4)8/h3H,1-2H2
InChIKey
XDKIFGZASVTYFX-UHFFFAOYSA-N
Compound name
7-iodo-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

235.94466 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.951936 123.7
[M+Na]+ 258.933878 126.8
[M-H]- 234.937384 119.7
[M+NH4]+ 253.978483 141.5
[M+K]+ 274.907818 132.6
[M+H-H2O]+ 218.941920 114.5
[M+HCOO]- 280.942861 141.2
[M+CH3COO]- 294.958511 134.6
[M+Na-2H]- 256.919326 119.1
[M]+ 235.94411142 122.2
[M]- 235.94520858 122.2
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

patents stripe