CID 12249189

57445-29-1

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 135.7
[M+Na]+ 215.04272 142.7
[M-H]- 191.04622 137.5
[M+NH4]+ 210.08732 153.3
[M+K]+ 231.01666 135.6
[M+H-H2O]+ 175.05076 133.9
[M+HCOO]- 237.05170 156.0
[M+CH3COO]- 251.06735 174.0
[M+Na-2H]- 213.02817 144.7
[M]+ 192.05295 130.6
[M]- 192.05405 130.6
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.