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]+ 236.95194 123.7
[M+Na]+ 258.93388 126.8
[M-H]- 234.93738 119.7
[M+NH4]+ 253.97848 141.5
[M+K]+ 274.90782 132.6
[M+H-H2O]+ 218.94192 114.5
[M+HCOO]- 280.94286 141.2
[M+CH3COO]- 294.95851 134.6
[M+Na-2H]- 256.91933 119.1
[M]+ 235.94411 122.2
[M]- 235.94521 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