CID 20113789

3-[(2-ethoxyethoxy)methyl]aniline

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CCOCCOCC1=CC(=CC=C1)N

InChI

InChI=1S/C11H17NO2/c1-2-13-6-7-14-9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,12H2,1H3

InChIKey

NXQMKGBVRDJEGI-UHFFFAOYSA-N

Compound name

3-(2-ethoxyethoxymethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.12593 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]+	196.13321	143.6
[M+Na]+	218.11515	150.2
[M-H]-	194.11865	146.5
[M+NH4]+	213.15975	162.7
[M+K]+	234.08909	148.4
[M+H-H2O]+	178.12319	137.1
[M+HCOO]-	240.12413	168.4
[M+CH3COO]-	254.13978	186.7
[M+Na-2H]-	216.10060	149.3
[M]+	195.12538	145.7
[M]-	195.12648	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe