CID 95770

2,3-oxiranedimethanol

Structural Information

Molecular Formula

C₄H₈O₃

SMILES

C(C1C(O1)CO)O

InChI

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

InChIKey

PENWRXZLRDTNBI-UHFFFAOYSA-N

Compound name

[3-(hydroxymethyl)oxiran-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 333
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	117.1
[M+Na]+	127.036558	127.2
[M-H]-	103.040064	120.5
[M+NH4]+	122.081163	133.1
[M+K]+	143.010498	126.4
[M+H-H2O]+	87.044600	112.1
[M+HCOO]-	149.045541	138.5
[M+CH3COO]-	163.061191	165.4
[M+Na-2H]-	125.022006	125.3
[M]+	104.04679142	120.6
[M]-	104.04788858	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe