CID 2735397

175201-90-8

Structural Information

Molecular Formula

C₁₁H₁₁N₃

SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)N

InChI

InChI=1S/C11H11N3/c1-8-13-6-5-11(14-8)9-3-2-4-10(12)7-9/h2-7H,12H2,1H3

InChIKey

DMWKPJRZFGLSAX-UHFFFAOYSA-N

Compound name

3-(2-methylpyrimidin-4-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 185.09529 Da
Monoisotopic Mass: 1.6
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]+	186.10257	139.9
[M+Na]+	208.08451	149.0
[M-H]-	184.08801	144.0
[M+NH4]+	203.12911	156.6
[M+K]+	224.05845	144.9
[M+H-H2O]+	168.09255	131.5
[M+HCOO]-	230.09349	163.1
[M+CH3COO]-	244.10914	152.9
[M+Na-2H]-	206.06996	147.7
[M]+	185.09474	138.0
[M]-	185.09584	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe