CID 79788050

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

Structural Information

Molecular Formula
C8H11IN2O
SMILES
C1COCCC1N2C=CC(=N2)I
InChI
InChI=1S/C8H11IN2O/c9-8-1-4-11(10-8)7-2-5-12-6-3-7/h1,4,7H,2-3,5-6H2
InChIKey
JPZBWUVYDFTMCM-UHFFFAOYSA-N
Compound name
3-iodo-1-(oxan-4-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.9916 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.99888 143.2
[M+Na]+ 300.98082 147.4
[M+NH4]+ 296.02542 147.3
[M+K]+ 316.95476 146.7
[M-H]- 276.98432 140.6
[M+Na-2H]- 298.96627 136.8
[M]+ 277.99105 141.8
[M]- 277.99215 141.8
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.