CID 186078

Glycolaldehyde dimer

Structural Information

Molecular Formula

C₄H₈O₄

SMILES

C1C(OCC(O1)O)O

InChI

InChI=1S/C4H8O4/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2

InChIKey

ATFVTAOSZBVGHC-UHFFFAOYSA-N

Compound name

1,4-dioxane-2,5-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1682
Patents: 120.04226 Da
Monoisotopic Mass: -1.3
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]+	121.04954	120.1
[M+Na]+	143.03148	126.5
[M-H]-	119.03498	122.2
[M+NH4]+	138.07608	138.4
[M+K]+	159.00542	128.5
[M+H-H2O]+	103.03952	115.4
[M+HCOO]-	165.04046	137.9
[M+CH3COO]-	179.05611	161.6
[M+Na-2H]-	141.01693	128.3
[M]+	120.04171	117.6
[M]-	120.04281	117.6

Literature stripe

literature stripe

Patent stripe

patents stripe