CID 75887

2676-59-7

Structural Information

Molecular Formula

C₁₂H₁₄N₄O

SMILES

C1=CC(=C(C=C1OC2=CC(=C(C=C2)N)N)N)N

InChI

InChI=1S/C12H14N4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H,13-16H2

InChIKey

RQBIGPMJQUKYAH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1912
Patents: 230.11676 Da
Monoisotopic Mass: 0.7
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]+	231.124036	150.2
[M+Na]+	253.105978	158.1
[M-H]-	229.109484	156.2
[M+NH4]+	248.150583	166.5
[M+K]+	269.079918	154.0
[M+H-H2O]+	213.114020	142.5
[M+HCOO]-	275.114961	177.0
[M+CH3COO]-	289.130611	201.1
[M+Na-2H]-	251.091426	153.8
[M]+	230.11621142	145.0
[M]-	230.11730858	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe