CID 165765235

4-iodo-5-(propan-2-yl)-1,2-oxazole

Structural Information

Molecular Formula
C6H8INO
SMILES
CC(C)C1=C(C=NO1)I
InChI
InChI=1S/C6H8INO/c1-4(2)6-5(7)3-8-9-6/h3-4H,1-2H3
InChIKey
PFZTYSJGLCAIMB-UHFFFAOYSA-N
Compound name
4-iodo-5-propan-2-yl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.96506 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.97234 132.4
[M+Na]+ 259.95428 134.4
[M-H]- 235.95778 128.8
[M+NH4]+ 254.99888 148.9
[M+K]+ 275.92822 140.7
[M+H-H2O]+ 219.96232 123.3
[M+HCOO]- 281.96326 150.4
[M+CH3COO]- 295.97891 180.9
[M+Na-2H]- 257.93973 126.3
[M]+ 236.96451 131.7
[M]- 236.96561 131.7
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.