CID 89230542

2387601-28-5

Structural Information

Molecular Formula

SMILES

COC(=O)C1CC(C1)I

InChI

InChI=1S/C6H9IO2/c1-9-6(8)4-2-5(7)3-4/h4-5H,2-3H2,1H3

InChIKey

WBLNBSDMAHEUBA-UHFFFAOYSA-N

Compound name

methyl 3-iodocyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 239.96474 Da
Monoisotopic Mass: 1.6
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]+	240.97202	133.3
[M+Na]+	262.95396	132.8
[M-H]-	238.95746	130.4
[M+NH4]+	257.99856	144.3
[M+K]+	278.92790	141.3
[M+H-H2O]+	222.96200	120.5
[M+HCOO]-	284.96294	149.9
[M+CH3COO]-	298.97859	184.7
[M+Na-2H]-	260.93941	126.0
[M]+	239.96419	139.3
[M]-	239.96529	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe