CID 36104

3,4'-diaminobiphenyl

Structural Information

Molecular Formula

C₁₂H₁₂N₂

SMILES

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

InChI

InChI=1S/C12H12N2/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8H,13-14H2

InChIKey

QSPMTSAELLSLOQ-UHFFFAOYSA-N

Compound name

3-(4-aminophenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2173
Patents: 184.10005 Da
Monoisotopic Mass: 2.2
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]+	185.10733	140.1
[M+Na]+	207.08927	154.1
[M+NH4]+	202.13387	149.8
[M+K]+	223.06321	146.4
[M-H]-	183.09277	146.6
[M+Na-2H]-	205.07472	150.3
[M]+	184.09950	143.9
[M]-	184.10060	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe