CID 2763006

3-(iodomethyl)oxolane

Structural Information

Molecular Formula

SMILES

C1COCC1CI

InChI

InChI=1S/C5H9IO/c6-3-5-1-2-7-4-5/h5H,1-4H2

InChIKey

UJXHPFDJZCXTQR-UHFFFAOYSA-N

Compound name

3-(iodomethyl)oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 204
Patents: 211.9698 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]+	212.977076	128.8
[M+Na]+	234.959018	128.6
[M-H]-	210.962524	125.6
[M+NH4]+	230.003623	147.0
[M+K]+	250.932958	135.1
[M+H-H2O]+	194.967060	120.6
[M+HCOO]-	256.968001	146.4
[M+CH3COO]-	270.983651	174.4
[M+Na-2H]-	232.944466	123.2
[M]+	211.96925142	124.7
[M]-	211.97034858	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe