CID 110213

4-ethoxy-4'-pentyl-1,1'-biphenyl

Structural Information

Molecular Formula

C₁₉H₂₄O

SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C19H24O/c1-3-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-4-2/h8-15H,3-7H2,1-2H3

InChIKey

KOAUFWIBJVYJHF-UHFFFAOYSA-N

Compound name

1-ethoxy-4-(4-pentylphenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 268.1827 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]+	269.18998	165.7
[M+Na]+	291.17192	172.0
[M-H]-	267.17542	171.8
[M+NH4]+	286.21652	182.3
[M+K]+	307.14586	167.5
[M+H-H2O]+	251.17996	157.6
[M+HCOO]-	313.18090	188.6
[M+CH3COO]-	327.19655	201.3
[M+Na-2H]-	289.15737	169.6
[M]+	268.18215	168.7
[M]-	268.18325	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe