CID 25010

Bis(2-ethylhexyl) ether

Structural Information

Molecular Formula

C₁₆H₃₄O

SMILES

CCCCC(CC)COCC(CC)CCCC

InChI

InChI=1S/C16H34O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3

InChIKey

YHCCCMIWRBJYHG-UHFFFAOYSA-N

Compound name

3-(2-ethylhexoxymethyl)heptane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 9448
Patents: 242.26097 Da
Monoisotopic Mass: 6.3
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]+	243.268246	169.1
[M+Na]+	265.250188	171.8
[M-H]-	241.253694	167.7
[M+NH4]+	260.294793	186.9
[M+K]+	281.224128	170.3
[M+H-H2O]+	225.258230	163.0
[M+HCOO]-	287.259171	187.9
[M+CH3COO]-	301.274821	201.1
[M+Na-2H]-	263.235636	168.2
[M]+	242.26042142	174.4
[M]-	242.26151858	174.4

Literature stripe

literature stripe

Patent stripe

patents stripe