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

1
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

patents stripe