CID 171120172

Fahfa(16:1(9z)1/3-o-10:0)

Structural Information

Molecular Formula
C26H48O4
SMILES
CCCCCCCC(CC(=O)O)OC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C26H48O4/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-26(29)30-24(23-25(27)28)21-19-17-8-6-4-2/h11-12,24H,3-10,13-23H2,1-2H3,(H,27,28)/b12-11-
InChIKey
NJJSIZAZJSWBRS-QXMHVHEDSA-N
Compound name
3-[(Z)-hexadec-9-enoyl]oxydecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.35526 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.36254 218.5
[M+Na]+ 447.34448 223.2
[M-H]- 423.34798 205.5
[M+NH4]+ 442.38908 217.6
[M+K]+ 463.31842 212.5
[M+H-H2O]+ 407.35252 210.5
[M+HCOO]- 469.35346 222.3
[M+CH3COO]- 483.36911 230.4
[M+Na-2H]- 445.32993 210.9
[M]+ 424.35471 215.9
[M]- 424.35581 215.9
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.