CID 13455853

1,5-anhydro-4-deoxyhexitol

Structural Information

Molecular Formula

C₆H₁₂O₄

SMILES

C1C(OCC(C1O)O)CO

InChI

InChI=1S/C6H12O4/c7-2-4-1-5(8)6(9)3-10-4/h4-9H,1-3H2

InChIKey

POHLHDSBJAEFFB-UHFFFAOYSA-N

Compound name

6-(hydroxymethyl)oxane-3,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 148.07356 Da
Monoisotopic Mass: -1.6
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	129.3
[M+Na]+	171.06278	135.3
[M-H]-	147.06628	129.4
[M+NH4]+	166.10738	147.4
[M+K]+	187.03672	135.1
[M+H-H2O]+	131.07082	124.7
[M+HCOO]-	193.07176	145.9
[M+CH3COO]-	207.08741	166.2
[M+Na-2H]-	169.04823	134.3
[M]+	148.07301	125.4
[M]-	148.07411	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe