CID 46317004

2-methyl-5-(pyridin-3-yl)aniline

Structural Information

Molecular Formula

C₁₂H₁₂N₂

SMILES

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

InChI

InChI=1S/C12H12N2/c1-9-4-5-10(7-12(9)13)11-3-2-6-14-8-11/h2-8H,13H2,1H3

InChIKey

VNUUVUIUKJVWMS-UHFFFAOYSA-N

Compound name

2-methyl-5-pyridin-3-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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	140.0
[M+Na]+	207.08927	155.4
[M+NH4]+	202.13387	149.6
[M+K]+	223.06321	147.3
[M-H]-	183.09277	145.6
[M+Na-2H]-	205.07472	150.7
[M]+	184.09950	143.9
[M]-	184.10060	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe