CID 752150

26148-38-9

Structural Information

Molecular Formula

C₁₁H₁₁N₃

SMILES

C1=CC=C(C(=C1)N)NC2=CC=CC=N2

InChI

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

InChIKey

SMNUYINHUNGHMQ-UHFFFAOYSA-N

Compound name

2-N-pyridin-2-ylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 185.09529 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]+	186.10257	137.9
[M+Na]+	208.08451	145.2
[M-H]-	184.08801	143.1
[M+NH4]+	203.12911	155.4
[M+K]+	224.05845	141.2
[M+H-H2O]+	168.09255	129.9
[M+HCOO]-	230.09349	163.5
[M+CH3COO]-	244.10914	150.9
[M+Na-2H]-	206.06996	147.0
[M]+	185.09474	134.5
[M]-	185.09584	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe