CID 66756

2,5-diethoxyaniline

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

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

InChI

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

InChIKey

XPKFTIYOZUJAGA-UHFFFAOYSA-N

Compound name

2,5-diethoxyaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1002
Patents: 181.11028 Da
Monoisotopic Mass: 1.9
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]+	182.117556	138.7
[M+Na]+	204.099498	146.7
[M-H]-	180.103004	142.3
[M+NH4]+	199.144103	158.7
[M+K]+	220.073438	145.2
[M+H-H2O]+	164.107540	132.7
[M+HCOO]-	226.108481	163.9
[M+CH3COO]-	240.124131	184.8
[M+Na-2H]-	202.084946	144.2
[M]+	181.10973142	140.9
[M]-	181.11082858	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe