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

22
Patents

249.96031 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.96759 126.1
[M+Na]+ 272.94953 127.0
[M-H]- 248.95303 124.0
[M+NH4]+ 267.99413 134.7
[M+K]+ 288.92347 135.3
[M+H-H2O]+ 232.95757 111.6
[M+HCOO]- 294.95851 142.5
[M+CH3COO]- 308.97416 184.2
[M+Na-2H]- 270.93498 121.6
[M]+ 249.95976 132.1
[M]- 249.96086 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