CID 21917640

355116-94-8

Structural Information

Molecular Formula

C₁₃H₂₁NO₄

SMILES

COCCOCCOCCOC1=CC=C(C=C1)N

InChI

InChI=1S/C13H21NO4/c1-15-6-7-16-8-9-17-10-11-18-13-4-2-12(14)3-5-13/h2-5H,6-11,14H2,1H3

InChIKey

ZWTLHSZQFYADME-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 255.14706 Da
Monoisotopic Mass: 0.3
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]+	256.154336	158.1
[M+Na]+	278.136278	163.5
[M-H]-	254.139784	160.5
[M+NH4]+	273.180883	174.5
[M+K]+	294.110218	162.4
[M+H-H2O]+	238.144320	150.6
[M+HCOO]-	300.145261	182.6
[M+CH3COO]-	314.160911	196.9
[M+Na-2H]-	276.121726	162.8
[M]+	255.14651142	163.8
[M]-	255.14760858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe