CID 231971

2-(1,3-dioxolan-2-yl)ethan-1-ol

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

C1COC(O1)CCO

InChI

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

InChIKey

BEMQPBBHOUTOIO-UHFFFAOYSA-N

Compound name

2-(1,3-dioxolan-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
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	121.5
[M+Na]+	141.05221	127.9
[M-H]-	117.05572	124.6
[M+NH4]+	136.09682	142.2
[M+K]+	157.02615	130.0
[M+H-H2O]+	101.06026	117.1
[M+HCOO]-	163.06120	142.4
[M+CH3COO]-	177.07685	163.5
[M+Na-2H]-	139.03766	129.1
[M]+	118.06245	121.4
[M]-	118.06354	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe