CID 14681884

2-acetoxytetracosanoic acid

Structural Information

Molecular Formula
C26H50O4
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)OC(=O)C
InChI
InChI=1S/C26H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26(28)29)30-24(2)27/h25H,3-23H2,1-2H3,(H,28,29)
InChIKey
USHLGTXWTJINJU-UHFFFAOYSA-N
Compound name
2-acetyloxytetracosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

426.3709 Da
Monoisotopic Mass

11.3
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

literature stripe

Patent stripe

patents stripe