CID 148299

1,4-dimethoxy-2,3-dimethylbenzene

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC1=C(C=CC(=C1C)OC)OC

InChI

InChI=1S/C10H14O2/c1-7-8(2)10(12-4)6-5-9(7)11-3/h5-6H,1-4H3

InChIKey

WSFDNTMCFUSSDT-UHFFFAOYSA-N

Compound name

1,4-dimethoxy-2,3-dimethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 166.09938 Da
Monoisotopic Mass: 2.6
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]+	167.106656	132.5
[M+Na]+	189.088598	142.4
[M-H]-	165.092104	137.2
[M+NH4]+	184.133203	154.2
[M+K]+	205.062538	141.5
[M+H-H2O]+	149.096640	127.4
[M+HCOO]-	211.097581	157.4
[M+CH3COO]-	225.113231	181.8
[M+Na-2H]-	187.074046	138.4
[M]+	166.09883142	137.0
[M]-	166.09992858	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe