CID 50989591

4138-23-2

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

C1C(CNC2=CC=CC=C21)C(=O)N

InChI

InChI=1S/C10H12N2O/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-4,8,12H,5-6H2,(H2,11,13)

InChIKey

NYENCZIONJUOSQ-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydroquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 176.09496 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]+	177.10224	136.8
[M+Na]+	199.08418	142.9
[M-H]-	175.08768	137.7
[M+NH4]+	194.12878	155.3
[M+K]+	215.05812	139.3
[M+H-H2O]+	159.09222	130.3
[M+HCOO]-	221.09316	155.1
[M+CH3COO]-	235.10881	179.9
[M+Na-2H]-	197.06963	142.8
[M]+	176.09441	130.5
[M]-	176.09551	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe