CID 171120177

Fahfa(3:0/2-o-23:0)

Structural Information

Molecular Formula
C26H50O4
SMILES
CCCCCCCCCCCCCCCCCCCCCC(C(=O)O)OC(=O)CC
InChI
InChI=1S/C26H50O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(26(28)29)30-25(27)4-2/h24H,3-23H2,1-2H3,(H,28,29)
InChIKey
WSSJADGBDLCXHF-UHFFFAOYSA-N
Compound name
2-propanoyloxytricosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.3709 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.37818 220.0
[M+Na]+ 449.36012 224.8
[M-H]- 425.36362 207.0
[M+NH4]+ 444.40472 219.6
[M+K]+ 465.33406 214.3
[M+H-H2O]+ 409.36816 211.9
[M+HCOO]- 471.36910 223.7
[M+CH3COO]- 485.38475 231.7
[M+Na-2H]- 447.34557 212.4
[M]+ 426.37035 218.4
[M]- 426.37145 218.4
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.