CID 16793424

1170377-26-0

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

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

InChI

InChI=1S/C12H16N2O/c13-8-7-12(15)14-9-3-5-10-4-1-2-6-11(10)14/h1-2,4,6H,3,5,7-9,13H2

InChIKey

DAXCSORKXCGMCI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 204.12627 Da
Monoisotopic Mass: 0.7
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]+	205.133546	145.9
[M+Na]+	227.115488	151.6
[M-H]-	203.118994	147.8
[M+NH4]+	222.160093	164.0
[M+K]+	243.089428	148.4
[M+H-H2O]+	187.123530	138.7
[M+HCOO]-	249.124471	165.0
[M+CH3COO]-	263.140121	187.8
[M+Na-2H]-	225.100936	151.3
[M]+	204.12572142	142.0
[M]-	204.12681858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe