CID 165646478

5-cyclopropyl-4-iodo-1,2-oxazole

Structural Information

Molecular Formula
C6H6INO
SMILES
C1CC1C2=C(C=NO2)I
InChI
InChI=1S/C6H6INO/c7-5-3-8-9-6(5)4-1-2-4/h3-4H,1-2H2
InChIKey
VCRHJWZCELVXNU-UHFFFAOYSA-N
Compound name
5-cyclopropyl-4-iodo-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.94942 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.956696 130.6
[M+Na]+ 257.938638 135.0
[M-H]- 233.942144 131.0
[M+NH4]+ 252.983243 142.6
[M+K]+ 273.912578 139.4
[M+H-H2O]+ 217.946680 120.8
[M+HCOO]- 279.947621 149.8
[M+CH3COO]- 293.963271 182.1
[M+Na-2H]- 255.924086 126.5
[M]+ 234.94887142 131.6
[M]- 234.94996858 131.6
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