CID 69510

Anhalamine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

COC1=C(C(=C2CNCCC2=C1)O)OC

InChI

InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3

InChIKey

DVQVXTPSJBCBJI-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 209.1052 Da
Monoisotopic Mass: 0.9
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]+	210.11248	145.0
[M+Na]+	232.09442	157.1
[M+NH4]+	227.13902	152.9
[M+K]+	248.06836	151.4
[M-H]-	208.09792	145.9
[M+Na-2H]-	230.07987	149.3
[M]+	209.10465	146.8
[M]-	209.10575	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe