CID 232606

112219-43-9

Structural Information

Molecular Formula

C₁₀H₈N₂O₃

SMILES

CC1=CC(=O)C2=C(N1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O3/c1-6-4-10(13)8-5-7(12(14)15)2-3-9(8)11-6/h2-5H,1H3,(H,11,13)

InChIKey

WTJKUGPNJDSKBL-UHFFFAOYSA-N

Compound name

2-methyl-6-nitro-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 204.0535 Da
Monoisotopic Mass: 1.8
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	137.9
[M+Na]+	227.04272	147.4
[M-H]-	203.04622	140.8
[M+NH4]+	222.08732	155.6
[M+K]+	243.01666	139.7
[M+H-H2O]+	187.05076	136.2
[M+HCOO]-	249.05170	160.8
[M+CH3COO]-	263.06735	177.6
[M+Na-2H]-	225.02817	147.7
[M]+	204.05295	136.4
[M]-	204.05405	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe