CID 3022055

P-(alpha-(dimethylamino)phenethyl)phenol hydrochloride

Structural Information

Molecular Formula

C₁₆H₁₉NO

SMILES

CN(C)C(CC1=CC=CC=C1)C2=CC=C(C=C2)O

InChI

InChI=1S/C16H19NO/c1-17(2)16(12-13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,16,18H,12H2,1-2H3

InChIKey

JGXGMOKBRQTLDE-UHFFFAOYSA-N

Compound name

4-[1-(dimethylamino)-2-phenylethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.14667 Da
Monoisotopic Mass: 3.4
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]+	242.153946	156.8
[M+Na]+	264.135888	162.0
[M-H]-	240.139394	163.2
[M+NH4]+	259.180493	173.7
[M+K]+	280.109828	159.1
[M+H-H2O]+	224.143930	149.0
[M+HCOO]-	286.144871	179.7
[M+CH3COO]-	300.160521	197.8
[M+Na-2H]-	262.121336	161.0
[M]+	241.14612142	156.4
[M]-	241.14721858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.