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

0
Patents

234.94942 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.95670 130.6
[M+Na]+ 257.93864 135.0
[M-H]- 233.94214 131.0
[M+NH4]+ 252.98324 142.6
[M+K]+ 273.91258 139.4
[M+H-H2O]+ 217.94668 120.8
[M+HCOO]- 279.94762 149.8
[M+CH3COO]- 293.96327 182.1
[M+Na-2H]- 255.92409 126.5
[M]+ 234.94887 131.6
[M]- 234.94997 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

No patent data available for this compound.