CID 67029

2-amino-3-hydroxyanthraquinone

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)O)N
InChI
InChI=1S/C14H9NO3/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6,16H,15H2
InChIKey
CNWWMJSRHGXXAX-UHFFFAOYSA-N
Compound name
2-amino-3-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

239.05824 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe