CID 3014866

Ethyl hexadecyl ether

Structural Information

Molecular Formula

C₁₈H₃₈O

SMILES

CCCCCCCCCCCCCCCCOCC

InChI

InChI=1S/C18H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-4-2/h3-18H2,1-2H3

InChIKey

QGFMFMPFLWUUIH-UHFFFAOYSA-N

Compound name

1-ethoxyhexadecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2250
Patents: 270.29227 Da
Monoisotopic Mass: 8.2
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]+	271.299546	176.7
[M+Na]+	293.281488	178.9
[M-H]-	269.284994	174.7
[M+NH4]+	288.326093	193.4
[M+K]+	309.255428	176.0
[M+H-H2O]+	253.289530	169.9
[M+HCOO]-	315.290471	196.7
[M+CH3COO]-	329.306121	205.5
[M+Na-2H]-	291.266936	177.3
[M]+	270.29172142	184.0
[M]-	270.29281858	184.0

Literature stripe

literature stripe

Patent stripe

patents stripe