CID 34307

Ethoxynonylbenzene

Structural Information

Molecular Formula

C₁₇H₂₈O

SMILES

CCCCCCCCCC1=CC(=CC=C1)OCC

InChI

InChI=1S/C17H28O/c1-3-5-6-7-8-9-10-12-16-13-11-14-17(15-16)18-4-2/h11,13-15H,3-10,12H2,1-2H3

InChIKey

NCCHJWQYRPWHRW-UHFFFAOYSA-N

Compound name

1-ethoxy-3-nonylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 248.21402 Da
Monoisotopic Mass: 6.7
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]+	249.221296	163.7
[M+Na]+	271.203238	168.6
[M-H]-	247.206744	166.1
[M+NH4]+	266.247843	181.3
[M+K]+	287.177178	165.2
[M+H-H2O]+	231.211280	156.6
[M+HCOO]-	293.212221	185.8
[M+CH3COO]-	307.227871	198.7
[M+Na-2H]-	269.188686	166.8
[M]+	248.21347142	168.3
[M]-	248.21456858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe