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

0
Patents

210.11034 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11762 148.1
[M+Na]+ 233.09956 151.5
[M-H]- 209.10306 142.3
[M+NH4]+ 228.14416 163.6
[M+K]+ 249.07350 152.2
[M+H-H2O]+ 193.10760 143.1
[M+HCOO]- 255.10854 162.5
[M+CH3COO]- 269.12419 179.0
[M+Na-2H]- 231.08501 146.9
[M]+ 210.10979 148.5
[M]- 210.11089 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.