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]+ 331.154006 178.6
[M+Na]+ 353.135948 184.0
[M-H]- 329.139454 180.8
[M+NH4]+ 348.180553 192.3
[M+K]+ 369.109888 180.4
[M+H-H2O]+ 313.143990 173.3
[M+HCOO]- 375.144931 195.1
[M+CH3COO]- 389.160581 209.1
[M+Na-2H]- 351.121396 172.6
[M]+ 330.14618142 180.9
[M]- 330.14727858 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.