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]+ 223.95670 127.3
[M+Na]+ 245.93864 130.0
[M-H]- 221.94214 123.8
[M+NH4]+ 240.98324 144.4
[M+K]+ 261.91258 136.1
[M+H-H2O]+ 205.94668 118.4
[M+HCOO]- 267.94762 146.6
[M+CH3COO]- 281.96327 177.2
[M+Na-2H]- 243.92409 123.0
[M]+ 222.94887 126.9
[M]- 222.94997 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.