CID 66088

185416-17-5

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

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

InChI

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

InChIKey

GFNZJAUVJCGWLW-UHFFFAOYSA-N

Compound name

2-methoxy-1,3-dimethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3798
Patents: 136.08882 Da
Monoisotopic Mass: 3.0
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	125.2
[M+Na]+	159.07804	134.6
[M-H]-	135.08154	129.7
[M+NH4]+	154.12264	147.9
[M+K]+	175.05198	133.5
[M+H-H2O]+	119.08608	120.3
[M+HCOO]-	181.08702	150.2
[M+CH3COO]-	195.10267	175.7
[M+Na-2H]-	157.06349	132.4
[M]+	136.08827	127.5
[M]-	136.08937	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe