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: 31995
Patents: 396.39673 Da
Monoisotopic Mass: 11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe