CID 131751869

Glucosyl 6-hydroxy-2,6-dimethyl-2e,7-octadienoate

Structural Information

Molecular Formula
C16H26O8
SMILES
C/C(=C/CCC(C)(C=C)O)/C(=O)OC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C16H26O8/c1-4-16(3,22)7-5-6-9(2)14(21)24-15-13(20)12(19)11(18)10(8-17)23-15/h4,6,10-13,15,17-20,22H,1,5,7-8H2,2-3H3/b9-6-
InChIKey
IVWJMPAYYVHQPT-TWGQIWQCSA-N
Compound name
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2Z)-6-hydroxy-2,6-dimethylocta-2,7-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.16278 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17006 179.1
[M+Na]+ 369.15200 182.0
[M-H]- 345.15550 175.6
[M+NH4]+ 364.19660 187.7
[M+K]+ 385.12594 180.5
[M+H-H2O]+ 329.16004 174.0
[M+HCOO]- 391.16098 187.1
[M+CH3COO]- 405.17663 203.1
[M+Na-2H]- 367.13745 176.3
[M]+ 346.16223 178.0
[M]- 346.16333 178.0
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.