CID 25060

10224-91-6

Structural Information

Molecular Formula

C₁₈H₂₂

SMILES

CCC1=CC=C(C=C1)C(C)C2=CC=C(C=C2)CC

InChI

InChI=1S/C18H22/c1-4-15-6-10-17(11-7-15)14(3)18-12-8-16(5-2)9-13-18/h6-14H,4-5H2,1-3H3

InChIKey

KXQKDDDZWYVBIU-UHFFFAOYSA-N

Compound name

1-ethyl-4-[1-(4-ethylphenyl)ethyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 238.17215 Da
Monoisotopic Mass: 5.8
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]+	239.17943	157.2
[M+Na]+	261.16137	163.8
[M-H]-	237.16487	163.7
[M+NH4]+	256.20597	175.1
[M+K]+	277.13531	159.5
[M+H-H2O]+	221.16941	149.9
[M+HCOO]-	283.17035	179.3
[M+CH3COO]-	297.18600	197.2
[M+Na-2H]-	259.14682	160.6
[M]+	238.17160	157.9
[M]-	238.17270	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe