CID 723422

62855-02-1

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1[C@@H](NCC2=CC=CC=C21)CO

InChI

InChI=1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m1/s1

InChIKey

ZSKDXMLMMQFHGW-SNVBAGLBSA-N

Compound name

[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 275
Patents: 163.09972 Da
Monoisotopic Mass: 0.7
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]+	164.106996	134.2
[M+Na]+	186.088938	140.7
[M-H]-	162.092444	134.1
[M+NH4]+	181.133543	153.2
[M+K]+	202.062878	136.7
[M+H-H2O]+	146.096980	128.1
[M+HCOO]-	208.097921	151.4
[M+CH3COO]-	222.113571	145.9
[M+Na-2H]-	184.074386	141.6
[M]+	163.09917142	129.0
[M]-	163.10026858	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe