CID 34178060

1203579-50-3

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1CNCC2=C1C(=CC=C2)C(=O)O

InChI

InChI=1S/C10H11NO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6H2,(H,12,13)

InChIKey

UIVYUTLYDWQGPA-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydroisoquinoline-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 177.07898 Da
Monoisotopic Mass: -1.4
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	137.0
[M+Na]+	200.06820	148.8
[M+NH4]+	195.11280	145.3
[M+K]+	216.04214	143.1
[M-H]-	176.07170	138.0
[M+Na-2H]-	198.05365	142.0
[M]+	177.07843	138.7
[M]-	177.07953	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe