CID 82410542

5,6,7,8-tetrahydroquinoline-4-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1CCC2=NC=CC(=C2C1)C(=O)O

InChI

InChI=1S/C10H11NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h5-6H,1-4H2,(H,12,13)

InChIKey

JXVNDNKYPJNLGX-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydroquinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 177.07898 Da
Monoisotopic Mass: 1.6
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]+	178.08626	136.6
[M+Na]+	200.06820	148.9
[M+NH4]+	195.11280	145.2
[M+K]+	216.04214	142.9
[M-H]-	176.07170	138.1
[M+Na-2H]-	198.05365	142.3
[M]+	177.07843	138.6
[M]-	177.07953	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe