CID 134812139

Mef(9,5)

Structural Information

Molecular Formula
C18H30O3
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCC(=O)O)C
InChI
InChI=1S/C18H30O3/c1-3-4-8-11-16-14-15(2)17(21-16)12-9-6-5-7-10-13-18(19)20/h14H,3-13H2,1-2H3,(H,19,20)
InChIKey
GJOKICFSPOJZMU-UHFFFAOYSA-N
Compound name
8-(3-methyl-5-pentylfuran-2-yl)octanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.21948 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.226756 176.8
[M+Na]+ 317.208698 181.7
[M-H]- 293.212204 178.6
[M+NH4]+ 312.253303 192.4
[M+K]+ 333.182638 179.1
[M+H-H2O]+ 277.216740 170.5
[M+HCOO]- 339.217681 196.5
[M+CH3COO]- 353.233331 204.1
[M+Na-2H]- 315.194146 175.8
[M]+ 294.21893142 183.2
[M]- 294.22002858 183.2
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.