CID 21071

Di-p-tolylmethane

Structural Information

Molecular Formula

C₁₅H₁₆

SMILES

CC1=CC=C(C=C1)CC2=CC=C(C=C2)C

InChI

InChI=1S/C15H16/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3

InChIKey

HZAWPPRBCALFRN-UHFFFAOYSA-N

Compound name

1-methyl-4-[(4-methylphenyl)methyl]benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3875
Patents: 196.1252 Da
Monoisotopic Mass: 4.6
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]+	197.13248	144.5
[M+Na]+	219.11442	161.2
[M+NH4]+	214.15902	155.2
[M+K]+	235.08836	151.5
[M-H]-	195.11792	150.9
[M+Na-2H]-	217.09987	155.8
[M]+	196.12465	149.1
[M]-	196.12575	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe