CID 643843

31930-36-6

Structural Information

Molecular Formula
C5H7IO2
SMILES
CCOC(=O)/C=C\I
InChI
InChI=1S/C5H7IO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3-
InChIKey
AELYFQSZXFFNGP-ARJAWSKDSA-N
Compound name
ethyl (Z)-3-iodoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

225.94908 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.956356 133.0
[M+Na]+ 248.938298 133.9
[M-H]- 224.941804 126.9
[M+NH4]+ 243.982903 150.6
[M+K]+ 264.912238 139.5
[M+H-H2O]+ 208.946340 125.1
[M+HCOO]- 270.947281 151.7
[M+CH3COO]- 284.962931 177.9
[M+Na-2H]- 246.923746 126.6
[M]+ 225.94853142 132.2
[M]- 225.94962858 132.2
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