CID 105577

Eicosyl ethyl ether

Structural Information

Molecular Formula

C₂₂H₄₆O

SMILES

CCCCCCCCCCCCCCCCCCCCOCC

InChI

InChI=1S/C22H46O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-4-2/h3-22H2,1-2H3

InChIKey

PRGOMPHKWHPFFI-UHFFFAOYSA-N

Compound name

1-ethoxyicosane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 326.35486 Da
Monoisotopic Mass: 10.4
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]+	327.362136	194.4
[M+Na]+	349.344078	195.0
[M-H]-	325.347584	191.6
[M+NH4]+	344.388683	208.9
[M+K]+	365.318018	191.1
[M+H-H2O]+	309.352120	186.9
[M+HCOO]-	371.353061	213.1
[M+CH3COO]-	385.368711	217.4
[M+Na-2H]-	347.329526	192.9
[M]+	326.35431142	203.3
[M]-	326.35540858	203.3

Literature stripe

literature stripe

Patent stripe

patents stripe