CID 3042572

Phenol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₇NO

SMILES

C1=CC=C(C=C1)CNCCC2=CC=C(C=C2)O

InChI

InChI=1S/C15H17NO/c17-15-8-6-13(7-9-15)10-11-16-12-14-4-2-1-3-5-14/h1-9,16-17H,10-12H2

InChIKey

DAKFPYXAXDNNMV-UHFFFAOYSA-N

Compound name

4-[2-(benzylamino)ethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 227.13101 Da
Monoisotopic Mass: 2.9
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]+	228.13829	153.4
[M+Na]+	250.12023	167.3
[M+NH4]+	245.16483	162.5
[M+K]+	266.09417	158.6
[M-H]-	226.12373	158.8
[M+Na-2H]-	248.10568	163.3
[M]+	227.13046	156.9
[M]-	227.13156	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe