CID 39998

Dtxsid40965649

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

C[C@@H]1C2=CC(=C(C=C2CCN1)OC)O

InChI

InChI=1S/C11H15NO2/c1-7-9-6-10(13)11(14-2)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3/t7-/m1/s1

InChIKey

CBMULJVNWNTWJM-SSDOTTSWSA-N

Compound name

(1R)-6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 193.11028 Da
Monoisotopic Mass: 1.3
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]+	194.117556	142.0
[M+Na]+	216.099498	149.9
[M-H]-	192.103004	142.6
[M+NH4]+	211.144103	160.4
[M+K]+	232.073438	146.3
[M+H-H2O]+	176.107540	136.0
[M+HCOO]-	238.108481	159.0
[M+CH3COO]-	252.124131	180.5
[M+Na-2H]-	214.084946	147.4
[M]+	193.10973142	139.4
[M]-	193.11082858	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.