CID 10470

Octacosanoic acid

Structural Information

Molecular Formula
C28H56O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)
InChIKey
UTOPWMOLSKOLTQ-UHFFFAOYSA-N
Compound name
octacosanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

40
References

44742
Patents

424.42804 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.43532 220.4
[M+Na]+ 447.41726 225.6
[M+NH4]+ 442.46186 223.6
[M+K]+ 463.39120 224.6
[M-H]- 423.42076 218.0
[M+Na-2H]- 445.40271 217.8
[M]+ 424.42749 220.0
[M]- 424.42859 220.0
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