CID 165683826

5-ethyl-4-iodo-1,3-oxazole

Structural Information

Molecular Formula
C5H6INO
SMILES
CCC1=C(N=CO1)I
InChI
InChI=1S/C5H6INO/c1-2-4-5(6)7-3-8-4/h3H,2H2,1H3
InChIKey
PQEQTQHGSBUAIE-UHFFFAOYSA-N
Compound name
5-ethyl-4-iodo-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.94942 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.956696 127.3
[M+Na]+ 245.938638 130.0
[M-H]- 221.942144 123.8
[M+NH4]+ 240.983243 144.4
[M+K]+ 261.912578 136.1
[M+H-H2O]+ 205.946680 118.4
[M+HCOO]- 267.947621 146.6
[M+CH3COO]- 281.963271 177.2
[M+Na-2H]- 243.924086 123.0
[M]+ 222.94887142 126.9
[M]- 222.94996858 126.9
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.