CID 14275539

87133-52-6

Structural Information

Molecular Formula

C₆H₁₂O₄

SMILES

C1[C@@H](OC[C@H](O1)CO)CO

InChI

InChI=1S/C6H12O4/c7-1-5-3-10-6(2-8)4-9-5/h5-8H,1-4H2/t5-,6+

InChIKey

WHRYYSSZMQDPLV-OLQVQODUSA-N

Compound name

[(2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 148.07356 Da
Monoisotopic Mass: -1.5
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]+	149.08084	128.9
[M+Na]+	171.06278	138.8
[M+NH4]+	166.10738	136.2
[M+K]+	187.03672	135.5
[M-H]-	147.06628	131.5
[M+Na-2H]-	169.04823	131.5
[M]+	148.07301	130.8
[M]-	148.07411	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe