CID 20112370

4-[(2-methoxyethoxy)methyl]aniline

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

COCCOCC1=CC=C(C=C1)N

InChI

InChI=1S/C10H15NO2/c1-12-6-7-13-8-9-2-4-10(11)5-3-9/h2-5H,6-8,11H2,1H3

InChIKey

XPSJNVWRACBZSH-UHFFFAOYSA-N

Compound name

4-(2-methoxyethoxymethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 181.11028 Da
Monoisotopic Mass: 0.7
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	139.0
[M+Na]+	204.099498	146.0
[M-H]-	180.103004	142.1
[M+NH4]+	199.144103	158.6
[M+K]+	220.073438	144.4
[M+H-H2O]+	164.107540	132.7
[M+HCOO]-	226.108481	164.1
[M+CH3COO]-	240.124131	183.7
[M+Na-2H]-	202.084946	145.2
[M]+	181.10973142	140.8
[M]-	181.11082858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe