CID 131752499

3-hydroxy-4,6-heptadiyne-1-yl 1-glucoside

Structural Information

Molecular Formula
C13H18O7
SMILES
C#CC#CC(CCOC1C(C(C(C(O1)CO)O)O)O)O
InChI
InChI=1S/C13H18O7/c1-2-3-4-8(15)5-6-19-13-12(18)11(17)10(16)9(7-14)20-13/h1,8-18H,5-7H2
InChIKey
JCEVIZQLLKDJRQ-UHFFFAOYSA-N
Compound name
2-(3-hydroxyhepta-4,6-diynoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.10526 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11254 163.3
[M+Na]+ 309.09448 171.2
[M-H]- 285.09798 161.8
[M+NH4]+ 304.13908 170.9
[M+K]+ 325.06842 168.5
[M+H-H2O]+ 269.10252 150.4
[M+HCOO]- 331.10346 165.6
[M+CH3COO]- 345.11911 213.6
[M+Na-2H]- 307.07993 161.1
[M]+ 286.10471 154.1
[M]- 286.10581 154.1
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.