CID 7947

Mesitylene

Structural Information

Molecular Formula

C₉H₁₂

SMILES

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

InChI

InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3

InChIKey

AUHZEENZYGFFBQ-UHFFFAOYSA-N

Compound name

1,3,5-trimethylbenzene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 498
References: 57843
Patents: 120.0939 Da
Monoisotopic Mass: 3.4
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]+	121.10118	122.9
[M+Na]+	143.08312	137.8
[M+NH4]+	138.12772	133.4
[M+K]+	159.05706	130.2
[M-H]-	119.08662	126.7
[M+Na-2H]-	141.06857	131.6
[M]+	120.09335	126.3
[M]-	120.09445	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe