CID 66668117

4-iodo-1-(oxetan-3-yl)-1h-pyrazole

Structural Information

Molecular Formula
C6H7IN2O
SMILES
C1C(CO1)N2C=C(C=N2)I
InChI
InChI=1S/C6H7IN2O/c7-5-1-8-9(2-5)6-3-10-4-6/h1-2,6H,3-4H2
InChIKey
IOWQPQKVPJLABD-UHFFFAOYSA-N
Compound name
4-iodo-1-(oxetan-3-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

249.96031 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.967586 126.1
[M+Na]+ 272.949528 127.0
[M-H]- 248.953034 124.0
[M+NH4]+ 267.994133 134.7
[M+K]+ 288.923468 135.3
[M+H-H2O]+ 232.957570 111.6
[M+HCOO]- 294.958511 142.5
[M+CH3COO]- 308.974161 184.2
[M+Na-2H]- 270.934976 121.6
[M]+ 249.95976142 132.1
[M]- 249.96085858 132.1
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