CID 12183

Ethyl iodoacetate

Structural Information

Molecular Formula

SMILES

CCOC(=O)CI

InChI

InChI=1S/C4H7IO2/c1-2-7-4(6)3-5/h2-3H2,1H3

InChIKey

MFFXVVHUKRKXCI-UHFFFAOYSA-N

Compound name

ethyl 2-iodoacetate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 2718
Patents: 213.94908 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]+	214.956356	130.1
[M+Na]+	236.938298	131.0
[M-H]-	212.941804	124.0
[M+NH4]+	231.982903	148.1
[M+K]+	252.912238	137.4
[M+H-H2O]+	196.946340	122.2
[M+HCOO]-	258.947281	148.8
[M+CH3COO]-	272.962931	176.6
[M+Na-2H]-	234.923746	124.1
[M]+	213.94853142	129.6
[M]-	213.94962858	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe