CID 19709536

1210489-39-6

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CN

InChI

InChI=1S/C11H14N2O/c12-8-11(14)13-7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6H,3,5,7-8,12H2

InChIKey

AGVLPANXRRNFSV-UHFFFAOYSA-N

Compound name

2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 190.11061 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]+	191.11789	141.3
[M+Na]+	213.09983	147.4
[M-H]-	189.10333	143.4
[M+NH4]+	208.14443	160.0
[M+K]+	229.07377	144.5
[M+H-H2O]+	173.10787	134.3
[M+HCOO]-	235.10881	160.8
[M+CH3COO]-	249.12446	184.8
[M+Na-2H]-	211.08528	147.2
[M]+	190.11006	137.1
[M]-	190.11116	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe