CID 10841

537-65-5

Structural Information

Molecular Formula

C₁₂H₁₃N₃

SMILES

C1=CC(=CC=C1N)NC2=CC=C(C=C2)N

InChI

InChI=1S/C12H13N3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H,13-14H2

InChIKey

QZHXKQKKEBXYRG-UHFFFAOYSA-N

Compound name

4-N-(4-aminophenyl)benzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 15593
Patents: 199.11095 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]+	200.11823	144.2
[M+Na]+	222.10017	156.8
[M+NH4]+	217.14477	153.3
[M+K]+	238.07411	149.6
[M-H]-	198.10367	150.8
[M+Na-2H]-	220.08562	154.0
[M]+	199.11040	147.8
[M]-	199.11150	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe