CID 8341

2-aminoanthraquinone

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N
InChI
InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2
InChIKey
XOGPDSATLSAZEK-UHFFFAOYSA-N
Compound name
2-aminoanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

31
References

8498
Patents

223.06332 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07060 144.5
[M+Na]+ 246.05254 154.9
[M-H]- 222.05604 150.3
[M+NH4]+ 241.09714 164.8
[M+K]+ 262.02648 150.1
[M+H-H2O]+ 206.06058 138.1
[M+HCOO]- 268.06152 166.8
[M+CH3COO]- 282.07717 158.1
[M+Na-2H]- 244.03799 152.2
[M]+ 223.06277 143.7
[M]- 223.06387 143.7
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