CID 590430

91523-50-1

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

C1CNC(C2=C1C=C(C=C2)O)C(=O)O

InChI

InChI=1S/C10H11NO3/c12-7-1-2-8-6(5-7)3-4-11-9(8)10(13)14/h1-2,5,9,11-12H,3-4H2,(H,13,14)

InChIKey

WQTOOVAQGWLHKC-UHFFFAOYSA-N

Compound name

6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 193.0739 Da
Monoisotopic Mass: -1.5
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]+	194.08118	139.8
[M+Na]+	216.06312	146.6
[M-H]-	192.06662	138.8
[M+NH4]+	211.10772	156.8
[M+K]+	232.03706	142.8
[M+H-H2O]+	176.07116	134.0
[M+HCOO]-	238.07210	154.9
[M+CH3COO]-	252.08775	176.2
[M+Na-2H]-	214.04857	144.8
[M]+	193.07335	134.7
[M]-	193.07445	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe