CID 24229559

885466-44-4

Structural Information

Molecular Formula

C₁₁H₁₁N₃

SMILES

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

InChI

InChI=1S/C11H11N3/c12-8-9-2-4-10(5-3-9)11-13-6-1-7-14-11/h1-7H,8,12H2

InChIKey

NCQYEJBFHRMHKN-UHFFFAOYSA-N

Compound name

(4-pyrimidin-2-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 31
Patents: 185.09529 Da
Monoisotopic Mass: 0.7
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	139.8
[M+Na]+	208.08451	154.8
[M+NH4]+	203.12911	148.6
[M+K]+	224.05845	147.0
[M-H]-	184.08801	144.4
[M+Na-2H]-	206.06996	150.5
[M]+	185.09474	143.3
[M]-	185.09584	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe