CID 54690098

53207-43-5

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

CC1=C(C2=C(C=C(C=C2)OC)N(C1=O)C)O

InChI

InChI=1S/C12H13NO3/c1-7-11(14)9-5-4-8(16-3)6-10(9)13(2)12(7)15/h4-6,14H,1-3H3

InChIKey

AMUHOMWWHQMVEJ-UHFFFAOYSA-N

Compound name

4-hydroxy-7-methoxy-1,3-dimethylquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 219.08954 Da
Monoisotopic Mass: 1.2
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]+	220.09682	144.6
[M+Na]+	242.07876	156.5
[M-H]-	218.08226	147.9
[M+NH4]+	237.12336	163.3
[M+K]+	258.05270	153.3
[M+H-H2O]+	202.08680	138.4
[M+HCOO]-	264.08774	166.0
[M+CH3COO]-	278.10339	189.2
[M+Na-2H]-	240.06421	150.6
[M]+	219.08899	148.7
[M]-	219.09009	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe