CID 365559

Nsc633320

Structural Information

Molecular Formula
C12H9NO2
SMILES
C1CC2=CC3=C(C(=O)C=CC3=O)N=C2C1
InChI
InChI=1S/C12H9NO2/c14-10-4-5-11(15)12-8(10)6-7-2-1-3-9(7)13-12/h4-6H,1-3H2
InChIKey
WNHAZUDVKNNWHG-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-cyclopenta[b]quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07060 139.6
[M+Na]+ 222.05254 149.8
[M-H]- 198.05604 144.1
[M+NH4]+ 217.09714 161.7
[M+K]+ 238.02648 145.8
[M+H-H2O]+ 182.06058 133.4
[M+HCOO]- 244.06152 160.3
[M+CH3COO]- 258.07717 153.4
[M+Na-2H]- 220.03799 145.7
[M]+ 199.06277 139.2
[M]- 199.06387 139.2
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.