CID 128944

4ptiq

Structural Information

Molecular Formula

C₁₅H₁₅N

SMILES

C1[C@@H](C2=CC=CC=C2CN1)C3=CC=CC=C3

InChI

InChI=1S/C15H15N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h1-9,15-16H,10-11H2/t15-/m1/s1

InChIKey

OSZMNJRKIPAVOS-OAHLLOKOSA-N

Compound name

(4R)-4-phenyl-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 265
Patents: 209.12045 Da
Monoisotopic Mass: 2.8
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]+	210.127726	146.2
[M+Na]+	232.109668	152.3
[M-H]-	208.113174	150.2
[M+NH4]+	227.154273	163.5
[M+K]+	248.083608	146.6
[M+H-H2O]+	192.117710	138.1
[M+HCOO]-	254.118651	164.3
[M+CH3COO]-	268.134301	157.5
[M+Na-2H]-	230.095116	153.8
[M]+	209.11990142	140.4
[M]-	209.12099858	140.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.