CID 572940

65673-48-5

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

COCCOCCOC1=CC=C(C=C1)N

InChI

InChI=1S/C11H17NO3/c1-13-6-7-14-8-9-15-11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3

InChIKey

IWXQVPLYQQTJTR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 211.12085 Da
Monoisotopic Mass: 0.4
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]+	212.128126	146.4
[M+Na]+	234.110068	152.8
[M-H]-	210.113574	149.3
[M+NH4]+	229.154673	164.7
[M+K]+	250.084008	151.6
[M+H-H2O]+	194.118110	139.6
[M+HCOO]-	256.119051	171.4
[M+CH3COO]-	270.134701	188.8
[M+Na-2H]-	232.095516	152.1
[M]+	211.12030142	150.0
[M]-	211.12139858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe