CID 5289103

(3r,5s)-5-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

C1[C@H](CO[C@@H]1CO)O

InChI

InChI=1S/C5H10O3/c6-2-5-1-4(7)3-8-5/h4-7H,1-3H2/t4-,5+/m1/s1

InChIKey

WDMXOLOBWMBITN-UHNVWZDZSA-N

Compound name

(3R,5S)-5-(hydroxymethyl)oxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 53
Patents: 118.062996 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]+	119.07027	121.7
[M+Na]+	141.05221	128.6
[M-H]-	117.05572	123.1
[M+NH4]+	136.09682	143.3
[M+K]+	157.02615	128.8
[M+H-H2O]+	101.06026	117.5
[M+HCOO]-	163.06120	142.0
[M+CH3COO]-	177.07685	161.9
[M+Na-2H]-	139.03766	127.2
[M]+	118.06245	119.4
[M]-	118.06354	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe