CID 142350

1,3-dioxan-2-ylmethanol

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

C1COC(OC1)CO

InChI

InChI=1S/C5H10O3/c6-4-5-7-2-1-3-8-5/h5-6H,1-4H2

InChIKey

IEBHUKYDOBADIB-UHFFFAOYSA-N

Compound name

1,3-dioxan-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 118.062996 Da
Monoisotopic Mass: -0.5
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]+	119.07027	121.4
[M+Na]+	141.05221	132.2
[M+NH4]+	136.09682	129.8
[M+K]+	157.02615	128.1
[M-H]-	117.05572	125.0
[M+Na-2H]-	139.03766	125.6
[M]+	118.06245	123.8
[M]-	118.06354	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe