CID 6710

1-aminoanthraquinone

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

39
References

9510
Patents

223.06332 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07060 145.8
[M+Na]+ 246.05254 160.9
[M+NH4]+ 241.09714 155.5
[M+K]+ 262.02648 153.0
[M-H]- 222.05604 150.1
[M+Na-2H]- 244.03799 152.7
[M]+ 223.06277 149.2
[M]- 223.06387 149.2
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