CID 79755

2,6-dimethoxytoluene

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

CC1=C(C=CC=C1OC)OC

InChI

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

InChIKey

FPEUDBGJAVKAEE-UHFFFAOYSA-N

Compound name

1,3-dimethoxy-2-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2742
Patents: 152.08372 Da
Monoisotopic Mass: 2.9
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	128.7
[M+Na]+	175.07294	138.0
[M-H]-	151.07644	133.1
[M+NH4]+	170.11754	150.6
[M+K]+	191.04688	137.4
[M+H-H2O]+	135.08098	123.5
[M+HCOO]-	197.08192	153.9
[M+CH3COO]-	211.09757	177.6
[M+Na-2H]-	173.05839	135.7
[M]+	152.08317	132.4
[M]-	152.08427	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe