CID 47108

3,6-diaminocarbazole

Structural Information

Molecular Formula

C₁₂H₁₁N₃

SMILES

C1=CC2=C(C=C1N)C3=C(N2)C=CC(=C3)N

InChI

InChI=1S/C12H11N3/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H,13-14H2

InChIKey

YCZUWQOJQGCZKG-UHFFFAOYSA-N

Compound name

9H-carbazole-3,6-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 2725
Patents: 197.09529 Da
Monoisotopic Mass: 2.0
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]+	198.10257	138.8
[M+Na]+	220.08451	149.6
[M-H]-	196.08801	142.0
[M+NH4]+	215.12911	159.7
[M+K]+	236.05845	143.6
[M+H-H2O]+	180.09255	132.7
[M+HCOO]-	242.09349	162.5
[M+CH3COO]-	256.10914	152.3
[M+Na-2H]-	218.06996	146.6
[M]+	197.09474	136.4
[M]-	197.09584	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe