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 173.5
[M+Na]+ 339.14142 177.1
[M-H]- 315.14492 171.6
[M+NH4]+ 334.18602 184.2
[M+K]+ 355.11536 175.8
[M+H-H2O]+ 299.14946 168.1
[M+HCOO]- 361.15040 183.8
[M+CH3COO]- 375.16605 199.6
[M+Na-2H]- 337.12687 168.9
[M]+ 316.15165 172.1
[M]- 316.15275 172.1
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.