CID 92369

Ethyl(phenylethyl)benzene

Structural Information

Molecular Formula

C₁₆H₁₈

SMILES

CCC1=CC=C(C=C1)CCC2=CC=CC=C2

InChI

InChI=1S/C16H18/c1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3

InChIKey

BDEIYMXBPHSOSG-UHFFFAOYSA-N

Compound name

1-ethyl-4-(2-phenylethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 210.14085 Da
Monoisotopic Mass: 5.6
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]+	211.14813	149.6
[M+Na]+	233.13007	165.8
[M+NH4]+	228.17467	160.1
[M+K]+	249.10401	155.6
[M-H]-	209.13357	155.9
[M+Na-2H]-	231.11552	160.8
[M]+	210.14030	154.0
[M]-	210.14140	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe