CID 79990

4-ethyl-1,2-dimethoxybenzene

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C10H14O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h5-7H,4H2,1-3H3

InChIKey

NEBQMYHKOREVAL-UHFFFAOYSA-N

Compound name

4-ethyl-1,2-dimethoxybenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 1965
Patents: 166.09938 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]+	167.10666	133.5
[M+Na]+	189.08860	142.4
[M-H]-	165.09210	137.7
[M+NH4]+	184.13320	154.8
[M+K]+	205.06254	141.4
[M+H-H2O]+	149.09664	128.0
[M+HCOO]-	211.09758	158.3
[M+CH3COO]-	225.11323	180.7
[M+Na-2H]-	187.07405	139.9
[M]+	166.09883	137.5
[M]-	166.09993	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe