CID 167737379

2-cyclopropyl-5-iodo-1,3-oxazole

Structural Information

Molecular Formula
C6H6INO
SMILES
C1CC1C2=NC=C(O2)I
InChI
InChI=1S/C6H6INO/c7-5-3-8-6(9-5)4-1-2-4/h3-4H,1-2H2
InChIKey
HUCNNACHBGVXBS-UHFFFAOYSA-N
Compound name
2-cyclopropyl-5-iodo-1,3-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 133.0
[M+Na]+ 257.93864 139.6
[M+NH4]+ 252.98324 138.4
[M+K]+ 273.91258 140.0
[M-H]- 233.94214 137.1
[M+Na-2H]- 255.92409 130.4
[M]+ 234.94887 135.1
[M]- 234.94997 135.1
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

No patent data available for this compound.