CID 2758412

4-(2,4-dimethoxyphenyl)aniline

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

COC1=CC(=C(C=C1)C2=CC=C(C=C2)N)OC

InChI

InChI=1S/C14H15NO2/c1-16-12-7-8-13(14(9-12)17-2)10-3-5-11(15)6-4-10/h3-9H,15H2,1-2H3

InChIKey

LLTSZYXEIOVGIH-UHFFFAOYSA-N

Compound name

4-(2,4-dimethoxyphenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 229.11028 Da
Monoisotopic Mass: 2.8
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]+	230.11756	151.2
[M+Na]+	252.09950	165.8
[M+NH4]+	247.14410	160.1
[M+K]+	268.07344	158.3
[M-H]-	228.10300	156.6
[M+Na-2H]-	250.08495	160.6
[M]+	229.10973	154.9
[M]-	229.11083	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe