CID 10469

Hexacosanoic acid

Structural Information

Molecular Formula
C26H52O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C26H52O2/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/h2-25H2,1H3,(H,27,28)
InChIKey
XMHIUKTWLZUKEX-UHFFFAOYSA-N
Compound name
hexacosanoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

152
References

32173
Patents

396.39673 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.40401 214.4
[M+Na]+ 419.38595 212.9
[M-H]- 395.38945 209.4
[M+NH4]+ 414.43055 213.9
[M+K]+ 435.35989 207.3
[M+H-H2O]+ 379.39399 206.3
[M+HCOO]- 441.39493 229.7
[M+CH3COO]- 455.41058 228.1
[M+Na-2H]- 417.37140 209.1
[M]+ 396.39618 222.9
[M]- 396.39728 222.9
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.