CID 11458782

90711-60-7

Structural Information

Molecular Formula

SMILES

C=CCOC(=O)CI

InChI

InChI=1S/C5H7IO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2

InChIKey

QZORKJQSVCOBNB-UHFFFAOYSA-N

Compound name

prop-2-enyl 2-iodoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 225.94908 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.956356	133.0
[M+Na]+	248.938298	133.8
[M-H]-	224.941804	126.8
[M+NH4]+	243.982903	150.4
[M+K]+	264.912238	139.4
[M+H-H2O]+	208.946340	125.0
[M+HCOO]-	270.947281	151.6
[M+CH3COO]-	284.962931	178.5
[M+Na-2H]-	246.923746	126.5
[M]+	225.94853142	132.2
[M]-	225.94962858	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe