CID 12161

4-methylstyrene

Structural Information

Molecular Formula

C₉H₁₀

SMILES

CC1=CC=C(C=C1)C=C

InChI

InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3

InChIKey

JLBJTVDPSNHSKJ-UHFFFAOYSA-N

Compound name

1-ethenyl-4-methylbenzene

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 49
References: 16457
Patents: 118.07825 Da
Monoisotopic Mass: 3.6
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]+	119.08553	122.8
[M+Na]+	141.06747	137.4
[M+NH4]+	136.11207	132.9
[M+K]+	157.04141	129.4
[M-H]-	117.07097	126.2
[M+Na-2H]-	139.05292	131.5
[M]+	118.07770	126.0
[M]-	118.07880	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe