CID 312577

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

Structural Information

Molecular Formula
C12H11NO2
SMILES
CCNC1=CC(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C12H11NO2/c1-2-13-10-7-11(14)8-5-3-4-6-9(8)12(10)15/h3-7,13H,2H2,1H3
InChIKey
NOXOPRHUVGLIBX-UHFFFAOYSA-N
Compound name
2-(ethylamino)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

201.07898 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 139.9
[M+Na]+ 224.06820 148.9
[M-H]- 200.07170 145.0
[M+NH4]+ 219.11280 160.3
[M+K]+ 240.04214 145.6
[M+H-H2O]+ 184.07624 133.9
[M+HCOO]- 246.07718 163.8
[M+CH3COO]- 260.09283 188.8
[M+Na-2H]- 222.05365 147.2
[M]+ 201.07843 140.2
[M]- 201.07953 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.