CID 72909

2-aminonaphthalene-1,4-dione

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
4
Annotation Hits

10
References

871
Patents

173.04768 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05496 132.7
[M+Na]+ 196.03690 146.3
[M+NH4]+ 191.08150 141.8
[M+K]+ 212.01084 139.7
[M-H]- 172.04040 135.9
[M+Na-2H]- 194.02235 139.4
[M]+ 173.04713 135.4
[M]- 173.04823 135.4
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