CID 5463376

(e)-methyl 3-iodoacrylate

Structural Information

Molecular Formula

SMILES

COC(=O)/C=C/I

InChI

InChI=1S/C4H5IO2/c1-7-4(6)2-3-5/h2-3H,1H3/b3-2+

InChIKey

SUQXOFVGKSUSSM-NSCUHMNNSA-N

Compound name

methyl (E)-3-iodoprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 211.93343 Da
Monoisotopic Mass: 1.2
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]+	212.94071	127.1
[M+Na]+	234.92265	130.1
[M+NH4]+	229.96725	130.4
[M+K]+	250.89659	128.5
[M-H]-	210.92615	119.9
[M+Na-2H]-	232.90810	118.5
[M]+	211.93288	124.1
[M]-	211.93398	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe