CID 33201

25890-96-4

Structural Information

Molecular Formula

C₁₄H₂₄N₂O

SMILES

CCN(CC)CCOCCC1=CC(=CC=C1)N

InChI

InChI=1S/C14H24N2O/c1-3-16(4-2)9-11-17-10-8-13-6-5-7-14(15)12-13/h5-7,12H,3-4,8-11,15H2,1-2H3

InChIKey

RSZHHQUHOHVXHQ-UHFFFAOYSA-N

Compound name

3-[2-[2-(diethylamino)ethoxy]ethyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.18886 Da
Monoisotopic Mass: 2.1
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]+	237.196136	158.6
[M+Na]+	259.178078	163.1
[M-H]-	235.181584	162.3
[M+NH4]+	254.222683	176.3
[M+K]+	275.152018	161.5
[M+H-H2O]+	219.186120	151.0
[M+HCOO]-	281.187061	183.6
[M+CH3COO]-	295.202711	202.2
[M+Na-2H]-	257.163526	162.0
[M]+	236.18831142	160.8
[M]-	236.18940858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe