CID 44116893

1171346-38-5

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

COCC(=O)N1CCCC2=C1C=C(C=C2)N

InChI

InChI=1S/C12H16N2O2/c1-16-8-12(15)14-6-2-3-9-4-5-10(13)7-11(9)14/h4-5,7H,2-3,6,8,13H2,1H3

InChIKey

RFUHAIQHQOAYMF-UHFFFAOYSA-N

Compound name

1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxyethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 220.12119 Da
Monoisotopic Mass: 0.9
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]+	221.128466	149.0
[M+Na]+	243.110408	155.5
[M-H]-	219.113914	151.3
[M+NH4]+	238.155013	166.7
[M+K]+	259.084348	153.0
[M+H-H2O]+	203.118450	141.8
[M+HCOO]-	265.119391	168.3
[M+CH3COO]-	279.135041	191.1
[M+Na-2H]-	241.095856	153.7
[M]+	220.12064142	147.0
[M]-	220.12173858	147.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.