CID 74904

1,2-diethoxybenzene

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CCOC1=CC=CC=C1OCC

InChI

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

InChIKey

QZYDOKBVZJLQCK-UHFFFAOYSA-N

Compound name

1,2-diethoxybenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 3201
Patents: 166.09938 Da
Monoisotopic Mass: 2.4
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	134.3
[M+Na]+	189.08860	142.2
[M-H]-	165.09210	138.1
[M+NH4]+	184.13320	155.2
[M+K]+	205.06254	141.2
[M+H-H2O]+	149.09664	128.6
[M+HCOO]-	211.09758	159.1
[M+CH3COO]-	225.11323	179.5
[M+Na-2H]-	187.07405	141.4
[M]+	166.09883	137.9
[M]-	166.09993	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe