CID 86666

4-iodo-5-methyloxolan-2-one

Structural Information

Molecular Formula
C5H7IO2
SMILES
CC1C(CC(=O)O1)I
InChI
InChI=1S/C5H7IO2/c1-3-4(6)2-5(7)8-3/h3-4H,2H2,1H3
InChIKey
FTDKROIGAJDVCT-UHFFFAOYSA-N
Compound name
4-iodo-5-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.94908 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.956356 128.6
[M+Na]+ 248.938298 130.4
[M-H]- 224.941804 126.3
[M+NH4]+ 243.982903 146.8
[M+K]+ 264.912238 136.8
[M+H-H2O]+ 208.946340 121.0
[M+HCOO]- 270.947281 146.7
[M+CH3COO]- 284.962931 177.6
[M+Na-2H]- 246.923746 121.9
[M]+ 225.94853142 126.0
[M]- 225.94962858 126.0
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.