CID 5710081

686277-01-0

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

CC1=CC(=O)NC2=CC(=C(C=C12)O)O

InChI

InChI=1S/C10H9NO3/c1-5-2-10(14)11-7-4-9(13)8(12)3-6(5)7/h2-4,12-13H,1H3,(H,11,14)

InChIKey

YAAJFTVUZYRAIU-UHFFFAOYSA-N

Compound name

6,7-dihydroxy-4-methyl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 191.05824 Da
Monoisotopic Mass: 0.5
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]+	192.065516	137.1
[M+Na]+	214.047458	148.1
[M-H]-	190.050964	137.6
[M+NH4]+	209.092063	155.2
[M+K]+	230.021398	143.5
[M+H-H2O]+	174.055500	131.6
[M+HCOO]-	236.056441	156.1
[M+CH3COO]-	250.072091	177.1
[M+Na-2H]-	212.032906	143.8
[M]+	191.05769142	136.4
[M]-	191.05878858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe