CID 522412

Dtxsid30873264

Structural Information

Molecular Formula

C₂₆H₅₂

SMILES

CCCCCCCCCCCCCCCCC=CCCCCCCCC

InChI

InChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-26H2,1-2H3

InChIKey

HGTCGIXAQAYYBS-UHFFFAOYSA-N

Compound name

hexacos-9-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 364.4069 Da
Monoisotopic Mass: 13.4
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]+	365.414176	207.1
[M+Na]+	387.396118	206.4
[M-H]-	363.399624	203.6
[M+NH4]+	382.440723	220.1
[M+K]+	403.370058	200.4
[M+H-H2O]+	347.404160	199.2
[M+HCOO]-	409.405101	224.5
[M+CH3COO]-	423.420751	226.0
[M+Na-2H]-	385.381566	203.6
[M]+	364.40635142	215.3
[M]-	364.40744858	215.3

Literature stripe

literature stripe

Patent stripe

patents stripe