CID 171120178

Fahfa(3:0/2-o-24:0)

Structural Information

Molecular Formula
C27H52O4
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)OC(=O)CC
InChI
InChI=1S/C27H52O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(27(29)30)31-26(28)4-2/h25H,3-24H2,1-2H3,(H,29,30)
InChIKey
ZQYNGZRQRLLZBQ-UHFFFAOYSA-N
Compound name
2-propanoyloxytetracosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.38657 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.39385 224.4
[M+Na]+ 463.37579 228.3
[M-H]- 439.37929 210.2
[M+NH4]+ 458.42039 223.2
[M+K]+ 479.34973 218.0
[M+H-H2O]+ 423.38383 216.0
[M+HCOO]- 485.38477 226.9
[M+CH3COO]- 499.40042 234.6
[M+Na-2H]- 461.36124 216.2
[M]+ 440.38602 221.9
[M]- 440.38712 221.9
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.