CID 12249189

6-nitro-2,3-dihydroquinolin-4(1h)-one

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1CNC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H8N2O3/c12-9-3-4-10-8-2-1-6(11(13)14)5-7(8)9/h1-2,5,10H,3-4H2
InChIKey
VUGQRUWCTOCECD-UHFFFAOYSA-N
Compound name
6-nitro-2,3-dihydro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0535 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 136.0
[M+Na]+ 215.04272 149.2
[M+NH4]+ 210.08732 144.2
[M+K]+ 231.01666 145.9
[M-H]- 191.04622 138.7
[M+Na-2H]- 213.02817 141.3
[M]+ 192.05295 138.3
[M]- 192.05405 138.3
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

No patent data available for this compound.