CID 56851120

Schembl18825566

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

C1CC(=O)NC2=C1C=CC(=C2)OCCCC=O

InChI

InChI=1S/C13H15NO3/c15-7-1-2-8-17-11-5-3-10-4-6-13(16)14-12(10)9-11/h3,5,7,9H,1-2,4,6,8H2,(H,14,16)

InChIKey

UEXWWBPDALYPLF-UHFFFAOYSA-N

Compound name

4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 233.1052 Da
Monoisotopic Mass: 0.8
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]+	234.11248	152.3
[M+Na]+	256.09442	164.3
[M+NH4]+	251.13902	159.6
[M+K]+	272.06836	157.4
[M-H]-	232.09792	153.1
[M+Na-2H]-	254.07987	156.7
[M]+	233.10465	154.0
[M]-	233.10575	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe