CID 11797

2,2'-dimethylbiphenyl

Structural Information

Molecular Formula

C₁₄H₁₄

SMILES

CC1=CC=CC=C1C2=CC=CC=C2C

InChI

InChI=1S/C14H14/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h3-10H,1-2H3

InChIKey

ABMKWMASVFVTMD-UHFFFAOYSA-N

Compound name

1-methyl-2-(2-methylphenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2092
Patents: 182.10954 Da
Monoisotopic Mass: 4.3
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]+	183.11682	139.9
[M+Na]+	205.09876	156.8
[M+NH4]+	200.14336	150.7
[M+K]+	221.07270	147.4
[M-H]-	181.10226	146.3
[M+Na-2H]-	203.08421	151.4
[M]+	182.10899	144.5
[M]-	182.11009	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe