CID 19707668

D-glucitol, 5-o-methyl-

Structural Information

Molecular Formula
C7H16O6
SMILES
COC(CO)C(C(C(CO)O)O)O
InChI
InChI=1S/C7H16O6/c1-13-5(3-9)7(12)6(11)4(10)2-8/h4-12H,2-3H2,1H3
InChIKey
VNWIAZISXIKLPK-UHFFFAOYSA-N
Compound name
5-methoxyhexane-1,2,3,4,6-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

196.09468 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.101956 144.2
[M+Na]+ 219.083898 147.5
[M-H]- 195.087404 137.1
[M+NH4]+ 214.128503 159.4
[M+K]+ 235.057838 147.6
[M+H-H2O]+ 179.091940 139.4
[M+HCOO]- 241.092881 157.4
[M+CH3COO]- 255.108531 173.8
[M+Na-2H]- 217.069346 142.9
[M]+ 196.09413142 142.3
[M]- 196.09522858 142.3
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

patents stripe