CID 171120170

Fahfa(14:1(7z)1/3-o-10:0)

Structural Information

Molecular Formula
C24H44O4
SMILES
CCCCCCCC(CC(=O)O)OC(=O)CCCCC/C=C\CCCCCC
InChI
InChI=1S/C24H44O4/c1-3-5-7-9-10-11-12-13-14-16-18-20-24(27)28-22(21-23(25)26)19-17-15-8-6-4-2/h11-12,22H,3-10,13-21H2,1-2H3,(H,25,26)/b12-11-
InChIKey
QMKHXLKJINNYLJ-QXMHVHEDSA-N
Compound name
3-[(Z)-tetradec-7-enoyl]oxydecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.32397 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.33125 209.7
[M+Na]+ 419.31319 209.2
[M-H]- 395.31669 205.4
[M+NH4]+ 414.35779 210.4
[M+K]+ 435.28713 205.1
[M+H-H2O]+ 379.32123 202.1
[M+HCOO]- 441.32217 215.8
[M+CH3COO]- 455.33782 224.6
[M+Na-2H]- 417.29864 203.2
[M]+ 396.32342 217.5
[M]- 396.32452 217.5
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.