CID 80715

2,4-diphenyl-4-methyl-1-pentene

Structural Information

Molecular Formula

C₁₈H₂₀

SMILES

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

InChI

InChI=1S/C18H20/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h4-13H,1,14H2,2-3H3

InChIKey

ZOKCNEIWFQCSCM-UHFFFAOYSA-N

Compound name

(2-methyl-4-phenylpent-4-en-2-yl)benzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 7121
Patents: 236.1565 Da
Monoisotopic Mass: 6.0
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]+	237.163776	156.5
[M+Na]+	259.145718	162.0
[M-H]-	235.149224	162.6
[M+NH4]+	254.190323	173.9
[M+K]+	275.119658	157.4
[M+H-H2O]+	219.153760	149.4
[M+HCOO]-	281.154701	177.2
[M+CH3COO]-	295.170351	194.5
[M+Na-2H]-	257.131166	161.9
[M]+	236.15595142	155.2
[M]-	236.15704858	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe