CID 104697

54119-37-8

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: 13
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]+	195.14918	145.0
[M+Na]+	217.13112	154.9
[M+NH4]+	212.17572	152.9
[M+K]+	233.10506	147.9
[M-H]-	193.13462	147.7
[M+Na-2H]-	215.11657	151.5
[M]+	194.14135	146.9
[M]-	194.14245	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe