CID 11544716

Chebi:169928

Structural Information

Molecular Formula
C20H24O5
SMILES
C/C=C/C=C/C=C/C(=O)[C@@H](C)C[C@@H](C)C(=O)C1=C(C(=C)OC1=O)OC
InChI
InChI=1S/C20H24O5/c1-6-7-8-9-10-11-16(21)13(2)12-14(3)18(22)17-19(24-5)15(4)25-20(17)23/h6-11,13-14H,4,12H2,1-3,5H3/b7-6+,9-8+,11-10+/t13-,14+/m0/s1
InChIKey
DWDVLBRQUCLSIZ-JKCIQWBTSA-N
Compound name
(2R,4S,6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.16238 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16966 182.1
[M+Na]+ 367.15160 187.6
[M-H]- 343.15510 185.6
[M+NH4]+ 362.19620 196.1
[M+K]+ 383.12554 184.6
[M+H-H2O]+ 327.15964 176.6
[M+HCOO]- 389.16058 199.9
[M+CH3COO]- 403.17623 214.4
[M+Na-2H]- 365.13705 176.3
[M]+ 344.16183 186.7
[M]- 344.16293 186.7
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.