CID 90803

22554-74-1

Structural Information

Molecular Formula

C₄H₈O₃

SMILES

C1C(C(CO1)O)O

InChI

InChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2

InChIKey

SSYDTHANSGMJTP-UHFFFAOYSA-N

Compound name

oxolane-3,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 4404
Patents: 104.04734 Da
Monoisotopic Mass: -1.4
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	117.0
[M+Na]+	127.036558	124.3
[M-H]-	103.040064	118.6
[M+NH4]+	122.081163	139.1
[M+K]+	143.010498	124.8
[M+H-H2O]+	87.044600	113.1
[M+HCOO]-	149.045541	137.6
[M+CH3COO]-	163.061191	158.9
[M+Na-2H]-	125.022006	123.0
[M]+	104.04679142	114.4
[M]-	104.04788858	114.4

Literature stripe

literature stripe

Patent stripe

patents stripe