CID 10081113

80420-88-8

Structural Information

Molecular Formula

C₁₁H₁₁N₃

SMILES

C1=CC(=C(C=C1C2=CC=NC=C2)N)N

InChI

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

InChIKey

BOZAGTUANUIVTL-UHFFFAOYSA-N

Compound name

4-pyridin-4-ylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 185.09529 Da
Monoisotopic Mass: 0.8
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	139.0
[M+Na]+	208.08451	147.4
[M-H]-	184.08801	144.1
[M+NH4]+	203.12911	156.6
[M+K]+	224.05845	143.0
[M+H-H2O]+	168.09255	131.3
[M+HCOO]-	230.09349	164.0
[M+CH3COO]-	244.10914	152.1
[M+Na-2H]-	206.06996	146.2
[M]+	185.09474	135.1
[M]-	185.09584	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe