CID 7071

3,3'-diaminobenzidine

Structural Information

Molecular Formula

C₁₂H₁₄N₄

SMILES

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

InChI

InChI=1S/C12H14N4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H,13-16H2

InChIKey

HSTOKWSFWGCZMH-UHFFFAOYSA-N

Compound name

4-(3,4-diaminophenyl)benzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1502
References: 36193
Patents: 214.12184 Da
Monoisotopic Mass: 0.9
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]+	215.12912	147.4
[M+Na]+	237.11106	155.5
[M-H]-	213.11456	153.5
[M+NH4]+	232.15566	164.4
[M+K]+	253.08500	150.8
[M+H-H2O]+	197.11910	140.1
[M+HCOO]-	259.12004	174.0
[M+CH3COO]-	273.13569	198.8
[M+Na-2H]-	235.09651	151.0
[M]+	214.12129	140.9
[M]-	214.12239	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe