CID 10867581

3-(2-iodoethoxy)prop-1-ene

Structural Information

Molecular Formula
C5H9IO
SMILES
C=CCOCCI
InChI
InChI=1S/C5H9IO/c1-2-4-7-5-3-6/h2H,1,3-5H2
InChIKey
KMOIQFBJWVVXFI-UHFFFAOYSA-N
Compound name
3-(2-iodoethoxy)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.9698 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97708 130.7
[M+Na]+ 234.95902 131.3
[M-H]- 210.96252 124.3
[M+NH4]+ 230.00362 148.8
[M+K]+ 250.93296 136.7
[M+H-H2O]+ 194.96706 122.8
[M+HCOO]- 256.96800 149.8
[M+CH3COO]- 270.98365 177.5
[M+Na-2H]- 232.94447 125.4
[M]+ 211.96925 129.9
[M]- 211.97035 129.9
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

No patent data available for this compound.