CID 54686436

1677-46-9

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

CN1C2=CC=CC=C2C(=CC1=O)O

InChI

InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-6,12H,1H3

InChIKey

RTNPPPQVXREFKX-UHFFFAOYSA-N

Compound name

4-hydroxy-1-methylquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 322
Patents: 175.06332 Da
Monoisotopic Mass: 0.9
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]+	176.070596	132.6
[M+Na]+	198.052538	143.7
[M-H]-	174.056044	135.5
[M+NH4]+	193.097143	152.6
[M+K]+	214.026478	140.2
[M+H-H2O]+	158.060580	126.6
[M+HCOO]-	220.061521	154.6
[M+CH3COO]-	234.077171	178.5
[M+Na-2H]-	196.037986	141.1
[M]+	175.06277142	133.7
[M]-	175.06386858	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe