CID 12739578

5-(iodomethyl)-3-methylideneoxolan-2-one

Structural Information

Molecular Formula

SMILES

C=C1CC(OC1=O)CI

InChI

InChI=1S/C6H7IO2/c1-4-2-5(3-7)9-6(4)8/h5H,1-3H2

InChIKey

DATMEPVMKCXILS-UHFFFAOYSA-N

Compound name

5-(iodomethyl)-3-methylideneoxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.94908 Da
Monoisotopic Mass: 1.9
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]+	238.95636	131.8
[M+Na]+	260.93830	133.5
[M-H]-	236.94180	129.3
[M+NH4]+	255.98290	149.5
[M+K]+	276.91224	139.0
[M+H-H2O]+	220.94634	124.1
[M+HCOO]-	282.94728	149.7
[M+CH3COO]-	296.96293	179.6
[M+Na-2H]-	258.92375	124.6
[M]+	237.94853	128.9
[M]-	237.94963	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.