CID 77844

3,5-dimethoxytoluene

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

CC1=CC(=CC(=C1)OC)OC

InChI

InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3

InChIKey

RIZBLVRXRWHLFA-UHFFFAOYSA-N

Compound name

1,3-dimethoxy-5-methylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 20
References: 3521
Patents: 152.08372 Da
Monoisotopic Mass: 2.2
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]+	153.09100	129.5
[M+Na]+	175.07294	143.4
[M+NH4]+	170.11754	138.7
[M+K]+	191.04688	136.8
[M-H]-	151.07644	132.1
[M+Na-2H]-	173.05839	137.1
[M]+	152.08317	132.3
[M]-	152.08427	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe