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]+ 295.22676 176.8
[M+Na]+ 317.20870 181.7
[M-H]- 293.21220 178.6
[M+NH4]+ 312.25330 192.4
[M+K]+ 333.18264 179.1
[M+H-H2O]+ 277.21674 170.5
[M+HCOO]- 339.21768 196.5
[M+CH3COO]- 353.23333 204.1
[M+Na-2H]- 315.19415 175.8
[M]+ 294.21893 183.2
[M]- 294.22003 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.