CID 3046514

4-(2-biphenylyloxy)butylamine hydrochloride

Structural Information

Molecular Formula

C₁₆H₁₉NO

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2OCCCCN

InChI

InChI=1S/C16H19NO/c17-12-6-7-13-18-16-11-5-4-10-15(16)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13,17H2

InChIKey

LDGODDJVNYTZPI-UHFFFAOYSA-N

Compound name

4-(2-phenylphenoxy)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 241.14667 Da
Monoisotopic Mass: 3.0
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]+	242.153946	156.4
[M+Na]+	264.135888	162.2
[M-H]-	240.139394	162.1
[M+NH4]+	259.180493	173.2
[M+K]+	280.109828	157.9
[M+H-H2O]+	224.143930	148.5
[M+HCOO]-	286.144871	180.8
[M+CH3COO]-	300.160521	195.4
[M+Na-2H]-	262.121336	162.0
[M]+	241.14612142	156.3
[M]-	241.14721858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe