CID 16778205

181513-08-6

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

CN(C)CCOC1=CC=CC(=C1)N

InChI

InChI=1S/C10H16N2O/c1-12(2)6-7-13-10-5-3-4-9(11)8-10/h3-5,8H,6-7,11H2,1-2H3

InChIKey

BMBSJDSXSMKTNV-UHFFFAOYSA-N

Compound name

3-[2-(dimethylamino)ethoxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 233
Patents: 180.12627 Da
Monoisotopic Mass: 1.0
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]+	181.13355	140.1
[M+Na]+	203.11549	151.1
[M+NH4]+	198.16009	148.7
[M+K]+	219.08943	145.0
[M-H]-	179.11899	143.7
[M+Na-2H]-	201.10094	147.1
[M]+	180.12572	142.5
[M]-	180.12682	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe