CID 171120179

Fahfa(8:0/3-o-12:0)

Structural Information

Molecular Formula
C20H38O4
SMILES
CCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCC
InChI
InChI=1S/C20H38O4/c1-3-5-7-9-10-12-13-15-18(17-19(21)22)24-20(23)16-14-11-8-6-4-2/h18H,3-17H2,1-2H3,(H,21,22)
InChIKey
POEICEQDGWNKHM-UHFFFAOYSA-N
Compound name
3-octanoyloxydodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.277 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.28428 193.5
[M+Na]+ 365.26622 194.3
[M-H]- 341.26972 189.9
[M+NH4]+ 360.31082 206.1
[M+K]+ 381.24016 191.7
[M+H-H2O]+ 325.27426 186.4
[M+HCOO]- 387.27520 209.5
[M+CH3COO]- 401.29085 214.3
[M+Na-2H]- 363.25167 188.9
[M]+ 342.27645 200.5
[M]- 342.27755 200.5
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.