CID 8323

1-amino-4-hydroxyanthraquinone

Structural Information

Molecular Formula

C₁₄H₉NO₃

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)N

InChI

InChI=1S/C14H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H,15H2

InChIKey

AQXYVFBSOOBBQV-UHFFFAOYSA-N

Compound name

1-amino-4-hydroxyanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 16
References: 2959
Patents: 239.05824 Da
Monoisotopic Mass: 3.4
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]+	240.06552	148.1
[M+Na]+	262.04746	158.8
[M-H]-	238.05096	152.8
[M+NH4]+	257.09206	167.2
[M+K]+	278.02140	154.0
[M+H-H2O]+	222.05550	142.0
[M+HCOO]-	284.05644	169.0
[M+CH3COO]-	298.07209	194.6
[M+Na-2H]-	260.03291	154.7
[M]+	239.05769	147.3
[M]-	239.05879	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe