CID 43174404

4-(2-(2-ethoxyethoxy)ethoxy)aniline

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CCOCCOCCOC1=CC=C(C=C1)N

InChI

InChI=1S/C12H19NO3/c1-2-14-7-8-15-9-10-16-12-5-3-11(13)4-6-12/h3-6H,2,7-10,13H2,1H3

InChIKey

ZPPAIDISWIOLFL-UHFFFAOYSA-N

Compound name

4-[2-(2-ethoxyethoxy)ethoxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 225.13649 Da
Monoisotopic Mass: 0.8
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]+	226.143766	151.0
[M+Na]+	248.125708	157.0
[M-H]-	224.129214	153.7
[M+NH4]+	243.170313	168.8
[M+K]+	264.099648	155.5
[M+H-H2O]+	208.133750	144.0
[M+HCOO]-	270.134691	175.7
[M+CH3COO]-	284.150341	191.8
[M+Na-2H]-	246.111156	156.1
[M]+	225.13594142	154.9
[M]-	225.13703858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe