CID 441154

5,6-dihydroxy-3-methyl-5,6-dihydroquinolin-2(1h)-one

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

CC1=CC2=C(C=CC(C2O)O)NC1=O

InChI

InChI=1S/C10H11NO3/c1-5-4-6-7(11-10(5)14)2-3-8(12)9(6)13/h2-4,8-9,12-13H,1H3,(H,11,14)

InChIKey

SQVOTYNRTIAIBT-UHFFFAOYSA-N

Compound name

5,6-dihydroxy-3-methyl-5,6-dihydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 20
Patents: 193.0739 Da
Monoisotopic Mass: -1.0
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]+	194.081176	138.6
[M+Na]+	216.063118	148.6
[M-H]-	192.066624	138.7
[M+NH4]+	211.107723	156.5
[M+K]+	232.037058	144.2
[M+H-H2O]+	176.071160	133.1
[M+HCOO]-	238.072101	156.2
[M+CH3COO]-	252.087751	177.5
[M+Na-2H]-	214.048566	144.3
[M]+	193.07335142	136.4
[M]-	193.07444858	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe