CID 12408

Octacosane

Structural Information

Molecular Formula

C₂₈H₅₈

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3

InChIKey

ZYURHZPYMFLWSH-UHFFFAOYSA-N

Compound name

octacosane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 39
References: 7070
Patents: 394.45386 Da
Monoisotopic Mass: 14.8
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]+	395.46114	217.3
[M+Na]+	417.44308	215.3
[M-H]-	393.44658	213.3
[M+NH4]+	412.48768	228.9
[M+K]+	433.41702	209.3
[M+H-H2O]+	377.45112	208.8
[M+HCOO]-	439.45206	233.7
[M+CH3COO]-	453.46771	233.3
[M+Na-2H]-	415.42853	212.6
[M]+	394.45331	226.9
[M]-	394.45441	226.9

Literature stripe

literature stripe

Patent stripe

patents stripe