CID 118896

Einecs 252-805-3

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CCNC1=C(C=CC(=C1)OCC)OCC

InChI

InChI=1S/C12H19NO2/c1-4-13-11-9-10(14-5-2)7-8-12(11)15-6-3/h7-9,13H,4-6H2,1-3H3

InChIKey

FFGGKPPVNIPGAK-UHFFFAOYSA-N

Compound name

2,5-diethoxy-N-ethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.14159 Da
Monoisotopic Mass: 2.9
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]+	210.14887	147.5
[M+Na]+	232.13081	154.5
[M-H]-	208.13431	151.1
[M+NH4]+	227.17541	166.6
[M+K]+	248.10475	152.9
[M+H-H2O]+	192.13885	141.0
[M+HCOO]-	254.13979	172.5
[M+CH3COO]-	268.15544	191.6
[M+Na-2H]-	230.11626	152.9
[M]+	209.14104	151.4
[M]-	209.14214	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.