CID 6438146

35732-12-8

Structural Information

Molecular Formula
C20H26O3
SMILES
C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(CCC1(C)C)C(=O)C
InChI
InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-18-17(16(3)21)11-12-20(18,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+
InChIKey
FSLMGODKGHHERM-FRCNGJHJSA-N
Compound name
(2E,4E,6E,8E)-9-(2-acetyl-5,5-dimethylcyclopenten-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

314.1882 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19548 177.5
[M+Na]+ 337.17742 182.5
[M-H]- 313.18092 178.9
[M+NH4]+ 332.22202 195.3
[M+K]+ 353.15136 177.5
[M+H-H2O]+ 297.18546 173.3
[M+HCOO]- 359.18640 194.1
[M+CH3COO]- 373.20205 205.8
[M+Na-2H]- 335.16287 171.8
[M]+ 314.18765 177.2
[M]- 314.18875 177.2
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

patents stripe