CID 10890062

Ethyl 4-iodobutanoate

Structural Information

Molecular Formula

C₆H₁₁IO₂

SMILES

CCOC(=O)CCCI

InChI

InChI=1S/C6H11IO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3

InChIKey

RLZFVPPGVAHZPE-UHFFFAOYSA-N

Compound name

ethyl 4-iodobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 333
Patents: 241.98038 Da
Monoisotopic Mass: 2.1
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]+	242.98766	140.0
[M+Na]+	264.96960	140.1
[M-H]-	240.97310	133.6
[M+NH4]+	260.01420	156.9
[M+K]+	280.94354	146.0
[M+H-H2O]+	224.97764	131.7
[M+HCOO]-	286.97858	158.1
[M+CH3COO]-	300.99423	182.3
[M+Na-2H]-	262.95505	132.8
[M]+	241.97983	140.2
[M]-	241.98093	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe