CID 131751671

Glucosyl (e)-2,6-dimethyl-2,5-heptadienoate

Structural Information

Molecular Formula
C15H24O7
SMILES
CC(=CC/C=C(\C)/C(=O)OC1C(C(C(C(O1)CO)O)O)O)C
InChI
InChI=1S/C15H24O7/c1-8(2)5-4-6-9(3)14(20)22-15-13(19)12(18)11(17)10(7-16)21-15/h5-6,10-13,15-19H,4,7H2,1-3H3/b9-6+
InChIKey
BHPXBBXWEPCSOK-RMKNXTFCSA-N
Compound name
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E)-2,6-dimethylhepta-2,5-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1522 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15948 174.0
[M+Na]+ 339.14142 179.3
[M+NH4]+ 334.18602 176.1
[M+K]+ 355.11536 178.8
[M-H]- 315.14492 170.9
[M+Na-2H]- 337.12687 170.1
[M]+ 316.15165 173.0
[M]- 316.15275 173.0
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

No patent data available for this compound.