CID 13342183

4-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1C(C2=CC=CC=C2NC1=O)CO

InChI

InChI=1S/C10H11NO2/c12-6-7-5-10(13)11-9-4-2-1-3-8(7)9/h1-4,7,12H,5-6H2,(H,11,13)

InChIKey

SWTFSZCELPFVIJ-UHFFFAOYSA-N

Compound name

4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 177.07898 Da
Monoisotopic Mass: 0.2
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]+	178.086256	136.1
[M+Na]+	200.068198	143.8
[M-H]-	176.071704	136.5
[M+NH4]+	195.112803	154.8
[M+K]+	216.042138	139.8
[M+H-H2O]+	160.076240	130.2
[M+HCOO]-	222.077181	153.7
[M+CH3COO]-	236.092831	175.4
[M+Na-2H]-	198.053646	142.8
[M]+	177.07843142	132.1
[M]-	177.07952858	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe