CID 7407

Alpha-methylstyrene

Structural Information

Molecular Formula

C₉H₁₀

SMILES

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

InChI

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

InChIKey

XYLMUPLGERFSHI-UHFFFAOYSA-N

Compound name

prop-1-en-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 85
References: 62702
Patents: 118.07825 Da
Monoisotopic Mass: 3.5
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	122.2
[M+Na]+	141.06747	129.7
[M-H]-	117.07097	125.9
[M+NH4]+	136.11207	144.7
[M+K]+	157.04141	127.8
[M+H-H2O]+	101.07551	117.1
[M+HCOO]-	163.07645	146.0
[M+CH3COO]-	177.09210	171.4
[M+Na-2H]-	139.05292	129.4
[M]+	118.07770	120.8
[M]-	118.07880	120.8

Literature stripe

literature stripe

Patent stripe

patents stripe