CID 613883

4-iodo-3,5-dimethyl-1,2-oxazole

Structural Information

Molecular Formula
C5H6INO
SMILES
CC1=C(C(=NO1)C)I
InChI
InChI=1S/C5H6INO/c1-3-5(6)4(2)8-7-3/h1-2H3
InChIKey
NMNOXVWRJISEFE-UHFFFAOYSA-N
Compound name
4-iodo-3,5-dimethyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

269
Patents

222.94942 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.956696 126.1
[M+Na]+ 245.938638 129.7
[M-H]- 221.942144 123.0
[M+NH4]+ 240.983243 143.5
[M+K]+ 261.912578 135.8
[M+H-H2O]+ 205.946680 117.5
[M+HCOO]- 267.947621 145.4
[M+CH3COO]- 281.963271 178.3
[M+Na-2H]- 243.924086 121.2
[M]+ 222.94887142 126.1
[M]- 222.94996858 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe