CID 4180444

1-methyl-6-nitroquinolin-2(1h)-one

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.06078	138.0
[M+Na]+	227.04272	153.8
[M+NH4]+	222.08732	146.6
[M+K]+	243.01666	149.7
[M-H]-	203.04622	141.7
[M+Na-2H]-	225.02817	145.3
[M]+	204.05295	141.2
[M]-	204.05405	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe