CID 13036

2,4,6-trimethylstyrene

Structural Information

Molecular Formula

C₁₁H₁₄

SMILES

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

InChI

InChI=1S/C11H14/c1-5-11-9(3)6-8(2)7-10(11)4/h5-7H,1H2,2-4H3

InChIKey

PDELBHCVXBSVPJ-UHFFFAOYSA-N

Compound name

2-ethenyl-1,3,5-trimethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13279
Patents: 146.10954 Da
Monoisotopic Mass: 3.8
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]+	147.11682	128.4
[M+Na]+	169.09876	138.2
[M-H]-	145.10226	132.9
[M+NH4]+	164.14336	150.9
[M+K]+	185.07270	135.5
[M+H-H2O]+	129.10680	123.7
[M+HCOO]-	191.10774	152.6
[M+CH3COO]-	205.12339	180.0
[M+Na-2H]-	167.08421	133.9
[M]+	146.10899	129.6
[M]-	146.11009	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe