CID 464135

2-(methylamino)naphthalene-1,4-dione

Structural Information

Molecular Formula
C11H9NO2
SMILES
CNC1=CC(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C11H9NO2/c1-12-9-6-10(13)7-4-2-3-5-8(7)11(9)14/h2-6,12H,1H3
InChIKey
FEWFXZPGPSWQJK-UHFFFAOYSA-N
Compound name
2-(methylamino)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

30
Patents

187.06332 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 135.2
[M+Na]+ 210.05254 144.7
[M-H]- 186.05604 140.5
[M+NH4]+ 205.09714 156.2
[M+K]+ 226.02648 141.6
[M+H-H2O]+ 170.06058 129.4
[M+HCOO]- 232.06152 159.5
[M+CH3COO]- 246.07717 185.8
[M+Na-2H]- 208.03799 143.1
[M]+ 187.06277 135.2
[M]- 187.06387 135.2
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