CID 3076294

130688-31-2

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C10H12N2O2/c11-9-8(10(13)14)7-4-2-1-3-6(7)5-12-9/h5H,1-4H2,(H2,11,12)(H,13,14)

InChIKey

VZRCUHMQWPZOEL-UHFFFAOYSA-N

Compound name

3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 192.08987 Da
Monoisotopic Mass: 2.0
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]+	193.09715	140.0
[M+Na]+	215.07909	146.9
[M-H]-	191.08259	141.2
[M+NH4]+	210.12369	158.0
[M+K]+	231.05303	143.9
[M+H-H2O]+	175.08713	133.5
[M+HCOO]-	237.08807	158.4
[M+CH3COO]-	251.10372	183.3
[M+Na-2H]-	213.06454	145.3
[M]+	192.08932	135.5
[M]-	192.09042	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe