CID 72909

3-aminonaphthoquinone

Structural Information

Molecular Formula

C₁₀H₇NO₂

SMILES

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

InChI

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

InChIKey

CYCRZLRIJWDWCM-UHFFFAOYSA-N

Compound name

2-aminonaphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 12
References: 1272
Patents: 173.04768 Da
Monoisotopic Mass: 1.8
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]+	174.054956	131.3
[M+Na]+	196.036898	141.2
[M-H]-	172.040404	136.2
[M+NH4]+	191.081503	152.6
[M+K]+	212.010838	138.0
[M+H-H2O]+	156.044940	125.8
[M+HCOO]-	218.045881	155.3
[M+CH3COO]-	232.061531	182.1
[M+Na-2H]-	194.022346	138.6
[M]+	173.04713142	129.9
[M]-	173.04822858	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe