CID 40091

51713-80-5

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

C[C@@H]1C2=CC(=C(C=C2CCN1C)OC)O

InChI

InChI=1S/C12H17NO2/c1-8-10-7-11(14)12(15-3)6-9(10)4-5-13(8)2/h6-8,14H,4-5H2,1-3H3/t8-/m1/s1

InChIKey

QFSVLNAGJRAZFV-MRVPVSSYSA-N

Compound name

(1R)-6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 207.12593 Da
Monoisotopic Mass: 1.8
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]+	208.133206	145.9
[M+Na]+	230.115148	154.6
[M-H]-	206.118654	148.0
[M+NH4]+	225.159753	164.7
[M+K]+	246.089088	151.7
[M+H-H2O]+	190.123190	139.6
[M+HCOO]-	252.124131	164.0
[M+CH3COO]-	266.139781	187.3
[M+Na-2H]-	228.100596	150.5
[M]+	207.12538142	145.9
[M]-	207.12647858	145.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.