CID 569074

1634-74-8

Structural Information

Molecular Formula

C₁₅H₁₆

SMILES

CC1=CC=CC=C1CC2=CC=CC=C2C

InChI

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

InChIKey

ZZFUVPDOJGQTKI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 619
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]+	197.132476	143.0
[M+Na]+	219.114418	151.3
[M-H]-	195.117924	150.0
[M+NH4]+	214.159023	162.8
[M+K]+	235.088358	147.2
[M+H-H2O]+	179.122460	136.3
[M+HCOO]-	241.123401	167.2
[M+CH3COO]-	255.139051	187.4
[M+Na-2H]-	217.099866	149.4
[M]+	196.12465142	143.3
[M]-	196.12574858	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe