CID 9883836

Cetyl dimethylbutyl ether

Structural Information

Molecular Formula

C₂₂H₄₆O

SMILES

CCCCCCCCCCCCCCCCOC(C)CC(C)C

InChI

InChI=1S/C22H46O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-22(4)20-21(2)3/h21-22H,5-20H2,1-4H3

InChIKey

XMFUMMRWIFOQDQ-UHFFFAOYSA-N

Compound name

1-(4-methylpentan-2-yloxy)hexadecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 464
Patents: 326.35486 Da
Monoisotopic Mass: 9.9
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	196.4
[M+Na]+	349.344078	196.6
[M-H]-	325.347584	193.8
[M+NH4]+	344.388683	210.8
[M+K]+	365.318018	193.5
[M+H-H2O]+	309.352120	189.1
[M+HCOO]-	371.353061	213.2
[M+CH3COO]-	385.368711	218.8
[M+Na-2H]-	347.329526	192.3
[M]+	326.35431142	204.0
[M]-	326.35540858	204.0

Literature stripe

literature stripe

Patent stripe

patents stripe