CID 72908

4-amino-1,2-naphthoquinone

Structural Information

Molecular Formula

C₁₀H₇NO₂

SMILES

C1=CC=C2C(=C1)C(=CC(=O)C2=O)N

InChI

InChI=1S/C10H7NO2/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5H,11H2

InChIKey

IGONFFFOEMASIA-UHFFFAOYSA-N

Compound name

4-aminonaphthalene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 105
Patents: 173.04768 Da
Monoisotopic Mass: 0.5
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]+	174.05496	131.3
[M+Na]+	196.03690	141.2
[M-H]-	172.04040	136.2
[M+NH4]+	191.08150	152.6
[M+K]+	212.01084	138.0
[M+H-H2O]+	156.04494	125.8
[M+HCOO]-	218.04588	155.3
[M+CH3COO]-	232.06153	182.1
[M+Na-2H]-	194.02235	138.6
[M]+	173.04713	129.9
[M]-	173.04823	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe