CID 76269

2,3-dimethylanisole

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

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

InChI

InChI=1S/C9H12O/c1-7-5-4-6-9(10-3)8(7)2/h4-6H,1-3H3

InChIKey

BLMBNEVGYRXFNA-UHFFFAOYSA-N

Compound name

1-methoxy-2,3-dimethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5555
Patents: 136.08882 Da
Monoisotopic Mass: 2.5
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]+	137.09610	126.2
[M+Na]+	159.07804	140.7
[M+NH4]+	154.12264	136.1
[M+K]+	175.05198	133.5
[M-H]-	135.08154	129.4
[M+Na-2H]-	157.06349	134.4
[M]+	136.08827	129.3
[M]-	136.08937	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe