CID 4180364

26776-70-5

Structural Information

Molecular Formula

C₆H₁₂O₆

SMILES

C1C(OCC(O1)(CO)O)(CO)O

InChI

InChI=1S/C6H12O6/c7-1-5(9)3-12-6(10,2-8)4-11-5/h7-10H,1-4H2

InChIKey

KEQUNHIAUQQPAC-UHFFFAOYSA-N

Compound name

2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 1352
Patents: 180.06339 Da
Monoisotopic Mass: -3.1
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]+	181.07067	134.3
[M+Na]+	203.05261	140.7
[M-H]-	179.05611	134.0
[M+NH4]+	198.09721	152.7
[M+K]+	219.02655	142.1
[M+H-H2O]+	163.06065	131.2
[M+HCOO]-	225.06159	148.7
[M+CH3COO]-	239.07724	167.0
[M+Na-2H]-	201.03806	143.4
[M]+	180.06284	132.9
[M]-	180.06394	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe