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

16
Patents

196.09468 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10196 142.8
[M+Na]+ 219.08390 147.1
[M+NH4]+ 214.12850 146.1
[M+K]+ 235.05784 148.0
[M-H]- 195.08740 136.6
[M+Na-2H]- 217.06935 140.3
[M]+ 196.09413 140.8
[M]- 196.09523 140.8
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