CID 74625

3-ethoxy-n,n-diethylaniline

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CCN(CC)C1=CC(=CC=C1)OCC

InChI

InChI=1S/C12H19NO/c1-4-13(5-2)11-8-7-9-12(10-11)14-6-3/h7-10H,4-6H2,1-3H3

InChIKey

ODQSBWZDOSNPAH-UHFFFAOYSA-N

Compound name

3-ethoxy-N,N-diethylaniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 563
Patents: 193.14667 Da
Monoisotopic Mass: 3.1
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]+	194.153946	144.8
[M+Na]+	216.135888	151.1
[M-H]-	192.139394	149.6
[M+NH4]+	211.180493	165.0
[M+K]+	232.109828	150.4
[M+H-H2O]+	176.143930	138.1
[M+HCOO]-	238.144871	170.1
[M+CH3COO]-	252.160521	191.9
[M+Na-2H]-	214.121336	150.2
[M]+	193.14612142	148.1
[M]-	193.14721858	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe