CID 54680429

1873-61-6

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CCCC1=C(C2=CC=CC=C2NC1=O)O

InChI

InChI=1S/C12H13NO2/c1-2-5-9-11(14)8-6-3-4-7-10(8)13-12(9)15/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15)

InChIKey

CKETYLIKMVJPGC-UHFFFAOYSA-N

Compound name

4-hydroxy-3-propyl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 7
Patents: 203.09464 Da
Monoisotopic Mass: 2.0
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]+	204.10192	142.6
[M+Na]+	226.08386	152.4
[M-H]-	202.08736	143.8
[M+NH4]+	221.12846	160.8
[M+K]+	242.05780	147.6
[M+H-H2O]+	186.09190	136.5
[M+HCOO]-	248.09284	162.4
[M+CH3COO]-	262.10849	182.1
[M+Na-2H]-	224.06931	149.5
[M]+	203.09409	142.6
[M]-	203.09519	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe