CID 2733173

128502-56-7

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

C1[C@H](NCC2=C1C=CC(=C2)O)C(=O)O

InChI

InChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)/t9-/m0/s1

InChIKey

HIKCRLDSCSWXML-VIFPVBQESA-N

Compound name

(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 250
Patents: 193.0739 Da
Monoisotopic Mass: -1.7
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]+	194.081176	139.8
[M+Na]+	216.063118	146.6
[M-H]-	192.066624	138.8
[M+NH4]+	211.107723	156.8
[M+K]+	232.037058	142.8
[M+H-H2O]+	176.071160	134.0
[M+HCOO]-	238.072101	154.9
[M+CH3COO]-	252.087751	176.2
[M+Na-2H]-	214.048566	144.8
[M]+	193.07335142	134.7
[M]-	193.07444858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe