CID 22493255

1061358-42-6

Structural Information

Molecular Formula

C₁₀H₉N₃

SMILES

C1=CC=C(C(=C1)C2=NC=CC=N2)N

InChI

InChI=1S/C10H9N3/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h1-7H,11H2

InChIKey

LLINQVYQJAQYON-UHFFFAOYSA-N

Compound name

2-pyrimidin-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 171.07965 Da
Monoisotopic Mass: 1.2
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]+	172.086926	134.9
[M+Na]+	194.068868	143.5
[M-H]-	170.072374	138.7
[M+NH4]+	189.113473	151.9
[M+K]+	210.042808	139.6
[M+H-H2O]+	154.076910	126.5
[M+HCOO]-	216.077851	158.4
[M+CH3COO]-	230.093501	148.0
[M+Na-2H]-	192.054316	144.1
[M]+	171.07910142	132.3
[M]-	171.08019858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe