CID 4180444

1-methyl-6-nitro-2(1h)-quinolone

Structural Information

Molecular Formula
C10H8N2O3
SMILES
CN1C2=C(C=CC1=O)C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O3/c1-11-9-4-3-8(12(14)15)6-7(9)2-5-10(11)13/h2-6H,1H3
InChIKey
FYLDFVUYAHNIOM-UHFFFAOYSA-N
Compound name
1-methyl-6-nitroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

204.0535 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 138.0
[M+Na]+ 227.04272 147.8
[M-H]- 203.04622 142.2
[M+NH4]+ 222.08732 156.3
[M+K]+ 243.01666 141.0
[M+H-H2O]+ 187.05076 135.9
[M+HCOO]- 249.05170 162.3
[M+CH3COO]- 263.06735 180.4
[M+Na-2H]- 225.02817 148.1
[M]+ 204.05295 138.2
[M]- 204.05405 138.2
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