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]+ 345.169656 182.1
[M+Na]+ 367.151598 187.6
[M-H]- 343.155104 185.6
[M+NH4]+ 362.196203 196.1
[M+K]+ 383.125538 184.6
[M+H-H2O]+ 327.159640 176.6
[M+HCOO]- 389.160581 199.9
[M+CH3COO]- 403.176231 214.4
[M+Na-2H]- 365.137046 176.3
[M]+ 344.16183142 186.7
[M]- 344.16292858 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.