CID 218540

Phenyltolylethane

Structural Information

Molecular Formula

C₁₅H₁₆

SMILES

CC1=CC=CC=C1C(C)C2=CC=CC=C2

InChI

InChI=1S/C15H16/c1-12-8-6-7-11-15(12)13(2)14-9-4-3-5-10-14/h3-11,13H,1-2H3

InChIKey

AOWVXBUUWBOTKP-UHFFFAOYSA-N

Compound name

1-methyl-2-(1-phenylethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 260
Patents: 196.1252 Da
Monoisotopic Mass: 4.5
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]+	197.13248	145.0
[M+Na]+	219.11442	161.0
[M+NH4]+	214.15902	155.6
[M+K]+	235.08836	151.9
[M-H]-	195.11792	151.2
[M+Na-2H]-	217.09987	156.2
[M]+	196.12465	149.4
[M]-	196.12575	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe