CID 162109

64349-34-4

Structural Information

Molecular Formula

C₁₁H₁₉N₃O

SMILES

C1=CC=C(C(=C1)CNCCNCCN)O

InChI

InChI=1S/C11H19N3O/c12-5-6-13-7-8-14-9-10-3-1-2-4-11(10)15/h1-4,13-15H,5-9,12H2

InChIKey

HHBMAADIVDZLKY-UHFFFAOYSA-N

Compound name

2-[[2-(2-aminoethylamino)ethylamino]methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 47
Patents: 209.15282 Da
Monoisotopic Mass: 0.1
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]+	210.16010	148.3
[M+Na]+	232.14204	157.0
[M+NH4]+	227.18664	155.5
[M+K]+	248.11598	150.9
[M-H]-	208.14554	151.1
[M+Na-2H]-	230.12749	153.8
[M]+	209.15227	149.9
[M]-	209.15337	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe