CID 14815903

[5-(iodomethyl)oxolan-3-yl]methanol

Structural Information

Molecular Formula

C₆H₁₁IO₂

SMILES

C1C(COC1CI)CO

InChI

InChI=1S/C6H11IO2/c7-2-6-1-5(3-8)4-9-6/h5-6,8H,1-4H2

InChIKey

MDYCYZOFWQOLMN-UHFFFAOYSA-N

Compound name

[5-(iodomethyl)oxolan-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.98038 Da
Monoisotopic Mass: 1.0
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]+	242.987656	138.6
[M+Na]+	264.969598	138.4
[M-H]-	240.973104	134.3
[M+NH4]+	260.014203	155.2
[M+K]+	280.943538	144.1
[M+H-H2O]+	224.977640	130.4
[M+HCOO]-	286.978581	154.6
[M+CH3COO]-	300.994231	177.6
[M+Na-2H]-	262.955046	131.1
[M]+	241.97983142	134.7
[M]-	241.98092858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe