CID 3024830

Hexacosyl glycol

Structural Information

Molecular Formula

C₂₆H₅₄O₂

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(CO)O

InChI

InChI=1S/C26H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(28)25-27/h26-28H,2-25H2,1H3

InChIKey

IFWQSSUUCVSCSK-UHFFFAOYSA-N

Compound name

hexacosane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 119
Patents: 398.41238 Da
Monoisotopic Mass: 11.5
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]+	399.41966	216.0
[M+Na]+	421.40160	213.7
[M-H]-	397.40510	209.5
[M+NH4]+	416.44620	225.9
[M+K]+	437.37554	207.9
[M+H-H2O]+	381.40964	208.0
[M+HCOO]-	443.41058	229.5
[M+CH3COO]-	457.42623	226.3
[M+Na-2H]-	419.38705	210.1
[M]+	398.41183	223.2
[M]-	398.41293	223.2

Literature stripe

literature stripe

Patent stripe

patents stripe