CID 6484655

62345-76-0

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

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

InChI

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

InChIKey

CCCVQPGAXZNTIL-UHFFFAOYSA-N

Compound name

4-[2-(dimethylamino)ethoxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 758
Patents: 180.12627 Da
Monoisotopic Mass: 0.9
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]+	181.133546	140.1
[M+Na]+	203.115488	146.4
[M-H]-	179.118994	144.6
[M+NH4]+	198.160093	160.1
[M+K]+	219.089428	145.7
[M+H-H2O]+	163.123530	133.3
[M+HCOO]-	225.124471	166.5
[M+CH3COO]-	239.140121	190.1
[M+Na-2H]-	201.100936	145.8
[M]+	180.12572142	140.9
[M]-	180.12681858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe