CID 11299482

Ethyl 2-iodo-2-methylpropionate

Structural Information

Molecular Formula

C₆H₁₁IO₂

SMILES

CCOC(=O)C(C)(C)I

InChI

InChI=1S/C6H11IO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3

InChIKey

AYVTVRNTNCEPSH-UHFFFAOYSA-N

Compound name

ethyl 2-iodo-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 176
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	137.0
[M+Na]+	264.96960	139.3
[M+NH4]+	260.01420	140.0
[M+K]+	280.94354	138.4
[M-H]-	240.97310	129.3
[M+Na-2H]-	262.95505	127.8
[M]+	241.97983	133.9
[M]-	241.98093	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe