CID 3221095

28731-40-0

Structural Information

Molecular Formula

C₁₄H₁₄N₂

SMILES

C1CNC(C2=CC=CC=C21)C3=CN=CC=C3

InChI

InChI=1S/C14H14N2/c1-2-6-13-11(4-1)7-9-16-14(13)12-5-3-8-15-10-12/h1-6,8,10,14,16H,7,9H2

InChIKey

PQUCZQQPRMLVLB-UHFFFAOYSA-N

Compound name

1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 210.11569 Da
Monoisotopic Mass: 2.0
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]+	211.12297	146.7
[M+Na]+	233.10491	153.3
[M-H]-	209.10841	149.4
[M+NH4]+	228.14951	162.5
[M+K]+	249.07885	147.5
[M+H-H2O]+	193.11295	137.7
[M+HCOO]-	255.11389	163.8
[M+CH3COO]-	269.12954	157.6
[M+Na-2H]-	231.09036	154.8
[M]+	210.11514	141.1
[M]-	210.11624	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe