CID 137621

1588-49-4

Structural Information

Molecular Formula

C₁₆H₁₆

SMILES

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

InChI

InChI=1S/C16H16/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3-12H,1-2H3

InChIKey

KINZBJFIDFZQCB-UHFFFAOYSA-N

Compound name

1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 585
Patents: 208.1252 Da
Monoisotopic Mass: 4.9
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]+	209.13248	146.6
[M+Na]+	231.11442	154.8
[M-H]-	207.11792	153.5
[M+NH4]+	226.15902	165.8
[M+K]+	247.08836	149.9
[M+H-H2O]+	191.12246	139.7
[M+HCOO]-	253.12340	170.7
[M+CH3COO]-	267.13905	188.9
[M+Na-2H]-	229.09987	152.4
[M]+	208.12465	146.4
[M]-	208.12575	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe