CID 520936

3,4-diethoxyaniline

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CCOC1=C(C=C(C=C1)N)OCC

InChI

InChI=1S/C10H15NO2/c1-3-12-9-6-5-8(11)7-10(9)13-4-2/h5-7H,3-4,11H2,1-2H3

InChIKey

IKYZLUAAOLUOFW-UHFFFAOYSA-N

Compound name

3,4-diethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 330
Patents: 181.11028 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]+	182.11756	138.7
[M+Na]+	204.09950	150.7
[M+NH4]+	199.14410	147.0
[M+K]+	220.07344	144.5
[M-H]-	180.10300	141.3
[M+Na-2H]-	202.08495	145.1
[M]+	181.10973	141.0
[M]-	181.11083	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe