CID 73082401

6,8-octacosanediol

Structural Information

Molecular Formula
C28H58O2
SMILES
CCCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O
InChI
InChI=1S/C28H58O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(30)26-27(29)24-22-6-4-2/h27-30H,3-26H2,1-2H3
InChIKey
YLQMTWQFHUFYEG-UHFFFAOYSA-N
Compound name
octacosane-6,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.4437 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.450976 225.7
[M+Na]+ 449.432918 222.4
[M-H]- 425.436424 219.0
[M+NH4]+ 444.477523 222.2
[M+K]+ 465.406858 216.6
[M+H-H2O]+ 409.440960 217.5
[M+HCOO]- 471.441901 230.4
[M+CH3COO]- 485.457551 232.8
[M+Na-2H]- 447.418366 217.5
[M]+ 426.44315142 233.0
[M]- 426.44424858 233.0
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

No patent data available for this compound.