CID 20667

Dodecyl ether

Structural Information

Molecular Formula

C₂₄H₅₀O

SMILES

CCCCCCCCCCCCOCCCCCCCCCCCC

InChI

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

InChIKey

CMCBDXRRFKYBDG-UHFFFAOYSA-N

Compound name

1-dodecoxydodecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 164
References: 71885
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]+	355.39345	203.2
[M+Na]+	377.37539	202.9
[M-H]-	353.37889	200.0
[M+NH4]+	372.41999	216.5
[M+K]+	393.34933	198.4
[M+H-H2O]+	337.38343	195.3
[M+HCOO]-	399.38437	221.2
[M+CH3COO]-	413.40002	223.3
[M+Na-2H]-	375.36084	200.6
[M]+	354.38562	212.8
[M]-	354.38672	212.8

Literature stripe

literature stripe

Patent stripe

patents stripe