CID 22395519

Cetyl octyl ether

Structural Information

Molecular Formula

C₂₄H₅₀O

SMILES

CCCCCCCCCCCCCCCCOCCCCCCCC

InChI

InChI=1S/C24H50O/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-25-23-21-19-10-8-6-4-2/h3-24H2,1-2H3

InChIKey

OFEMBBUDYGTDON-UHFFFAOYSA-N

Compound name

1-octoxyhexadecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 354.38617 Da
Monoisotopic Mass: 11.2
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]+	355.393446	203.2
[M+Na]+	377.375388	202.9
[M-H]-	353.378894	200.0
[M+NH4]+	372.419993	216.5
[M+K]+	393.349328	198.4
[M+H-H2O]+	337.383430	195.3
[M+HCOO]-	399.384371	221.2
[M+CH3COO]-	413.400021	223.3
[M+Na-2H]-	375.360836	200.6
[M]+	354.38562142	212.8
[M]-	354.38671858	212.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe