CID 3016578

Tetrahydrofurandiol

Structural Information

Molecular Formula

C₄H₈O₃

SMILES

C1CC(OC1)(O)O

InChI

InChI=1S/C4H8O3/c5-4(6)2-1-3-7-4/h5-6H,1-3H2

InChIKey

AEWLBYKVDXKPPN-UHFFFAOYSA-N

Compound name

oxolane-2,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 6281
Patents: 104.04734 Da
Monoisotopic Mass: -0.7
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]+	105.054616	116.8
[M+Na]+	127.036558	124.1
[M-H]-	103.040064	118.5
[M+NH4]+	122.081163	140.7
[M+K]+	143.010498	124.8
[M+H-H2O]+	87.044600	113.6
[M+HCOO]-	149.045541	137.5
[M+CH3COO]-	163.061191	157.3
[M+Na-2H]-	125.022006	124.8
[M]+	104.04679142	114.2
[M]-	104.04788858	114.2

Literature stripe

literature stripe

Patent stripe

patents stripe