CID 12725130

2-(pyridin-3-ylmethyl)aniline dihydrochloride

Structural Information

Molecular Formula

C₁₂H₁₂N₂

SMILES

C1=CC=C(C(=C1)CC2=CN=CC=C2)N

InChI

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

InChIKey

LFWROEKDZROIEU-UHFFFAOYSA-N

Compound name

2-(pyridin-3-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 184.10005 Da
Monoisotopic Mass: 2.1
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	140.2
[M+Na]+	207.08927	155.2
[M+NH4]+	202.13387	149.7
[M+K]+	223.06321	146.9
[M-H]-	183.09277	145.7
[M+Na-2H]-	205.07472	151.1
[M]+	184.09950	144.0
[M]-	184.10060	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe