CID 10841

4,4'-iminodianiline

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

3
Annotation Hits: 7
References: 16930
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]+	200.118226	142.0
[M+Na]+	222.100168	148.9
[M-H]-	198.103674	148.2
[M+NH4]+	217.144773	159.8
[M+K]+	238.074108	144.6
[M+H-H2O]+	182.108210	134.6
[M+HCOO]-	244.109151	168.9
[M+CH3COO]-	258.124801	192.0
[M+Na-2H]-	220.085616	148.9
[M]+	199.11040142	137.2
[M]-	199.11149858	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe