CID 3079498

3-(2-biphenylyloxy)propylamine hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₇NO

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2OCCCN

InChI

InChI=1S/C15H17NO/c16-11-6-12-17-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12,16H2

InChIKey

LWBJIUNWCWWOBJ-UHFFFAOYSA-N

Compound name

3-(2-phenylphenoxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 227.13101 Da
Monoisotopic Mass: 2.7
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]+	228.138286	151.8
[M+Na]+	250.120228	158.1
[M-H]-	226.123734	157.7
[M+NH4]+	245.164833	169.2
[M+K]+	266.094168	154.0
[M+H-H2O]+	210.128270	144.1
[M+HCOO]-	272.129211	176.6
[M+CH3COO]-	286.144861	192.4
[M+Na-2H]-	248.105676	158.0
[M]+	227.13046142	151.4
[M]-	227.13155858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe