CID 14213498

(r)-1-o-b-d-glucopyranosyl-1,3-octanediol

Structural Information

Molecular Formula
C14H28O7
SMILES
CCCCCC(CCOC1C(C(C(C(O1)CO)O)O)O)O
InChI
InChI=1S/C14H28O7/c1-2-3-4-5-9(16)6-7-20-14-13(19)12(18)11(17)10(8-15)21-14/h9-19H,2-8H2,1H3
InChIKey
PDTNYXYWXDHHEM-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-(3-hydroxyoctoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1835 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19078 173.4
[M+Na]+ 331.17272 176.1
[M-H]- 307.17622 169.8
[M+NH4]+ 326.21732 183.7
[M+K]+ 347.14666 174.9
[M+H-H2O]+ 291.18076 167.4
[M+HCOO]- 353.18170 183.7
[M+CH3COO]- 367.19735 196.5
[M+Na-2H]- 329.15817 171.0
[M]+ 308.18295 173.3
[M]- 308.18405 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.