CID 155903264

Chebi:169929

Structural Information

Molecular Formula
C19H22O5
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)O
InChI
InChI=1S/C19H22O5/c1-5-6-7-8-9-10-15(20)12(2)11-13(3)17(21)16-18(22)14(4)24-19(16)23/h5-10,12-13,22H,4,11H2,1-3H3/b6-5+,8-7+,10-9+/t12-,13+/m0/s1
InChIKey
IHDUVTNKEYLVTO-NLJBVMSWSA-N
Compound name
(2R,4S,6E,8E,10E)-1-(4-hydroxy-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

330.14673 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15401 178.6
[M+Na]+ 353.13595 184.0
[M-H]- 329.13945 180.8
[M+NH4]+ 348.18055 192.3
[M+K]+ 369.10989 180.4
[M+H-H2O]+ 313.14399 173.3
[M+HCOO]- 375.14493 195.1
[M+CH3COO]- 389.16058 209.1
[M+Na-2H]- 351.12140 172.6
[M]+ 330.14618 180.9
[M]- 330.14728 180.9
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.