CID 104697

Ethanol, 2-((2-((phenylmethyl)amino)ethyl)amino)-

Structural Information

Molecular Formula

C₁₁H₁₈N₂O

SMILES

C1=CC=C(C=C1)CNCCNCCO

InChI

InChI=1S/C11H18N2O/c14-9-8-12-6-7-13-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2

InChIKey

PEORPEBHZUHNFF-UHFFFAOYSA-N

Compound name

2-[2-(benzylamino)ethylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 194.1419 Da
Monoisotopic Mass: 0.4
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]+	195.149176	143.4
[M+Na]+	217.131118	147.7
[M-H]-	193.134624	145.0
[M+NH4]+	212.175723	161.4
[M+K]+	233.105058	144.8
[M+H-H2O]+	177.139160	136.6
[M+HCOO]-	239.140101	168.1
[M+CH3COO]-	253.155751	186.6
[M+Na-2H]-	215.116566	150.8
[M]+	194.14135142	142.1
[M]-	194.14244858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe