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

19
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 144.2
[M+Na]+ 219.08390 147.5
[M-H]- 195.08740 137.1
[M+NH4]+ 214.12850 159.4
[M+K]+ 235.05784 147.6
[M+H-H2O]+ 179.09194 139.4
[M+HCOO]- 241.09288 157.4
[M+CH3COO]- 255.10853 173.8
[M+Na-2H]- 217.06935 142.9
[M]+ 196.09413 142.3
[M]- 196.09523 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