CID 307158

4-[(pyridin-4-yl)methyl]aniline

Structural Information

Molecular Formula

C₁₂H₁₂N₂

SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)N

InChI

InChI=1S/C12H12N2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9,13H2

InChIKey

WZXYYQHVDJMIFF-UHFFFAOYSA-N

Compound name

4-(pyridin-4-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 454
Patents: 184.10005 Da
Monoisotopic Mass: 2.2
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]+	185.10733	139.2
[M+Na]+	207.08927	146.9
[M-H]-	183.09277	144.2
[M+NH4]+	202.13387	157.0
[M+K]+	223.06321	142.7
[M+H-H2O]+	167.09731	131.3
[M+HCOO]-	229.09825	163.4
[M+CH3COO]-	243.11390	152.2
[M+Na-2H]-	205.07472	147.2
[M]+	184.09950	136.8
[M]-	184.10060	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe