CID 76112014

D-galactitol, 3,5-di-o-methyl-

Structural Information

Molecular Formula

C₈H₁₈O₆

SMILES

COC(CO)C(C(C(CO)O)OC)O

InChI

InChI=1S/C8H18O6/c1-13-6(4-10)7(12)8(14-2)5(11)3-9/h5-12H,3-4H2,1-2H3

InChIKey

QGMASMHMISDPPT-UHFFFAOYSA-N

Compound name

3,5-dimethoxyhexane-1,2,4,6-tetrol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.11034 Da
Monoisotopic Mass: -2.5
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]+	211.117616	148.1
[M+Na]+	233.099558	151.5
[M-H]-	209.103064	142.3
[M+NH4]+	228.144163	163.6
[M+K]+	249.073498	152.2
[M+H-H2O]+	193.107600	143.1
[M+HCOO]-	255.108541	162.5
[M+CH3COO]-	269.124191	179.0
[M+Na-2H]-	231.085006	146.9
[M]+	210.10979142	148.5
[M]-	210.11088858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe