CID 22652

3,4-dihydro-6,7-dimethoxy-1-methylisoquinoline hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CC1=NCCC2=CC(=C(C=C12)OC)OC

InChI

InChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3

InChIKey

VASUQTGZAPZKFK-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 191
Patents: 205.11028 Da
Monoisotopic Mass: 1.6
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]+	206.11756	144.0
[M+Na]+	228.09950	158.5
[M+NH4]+	223.14410	153.1
[M+K]+	244.07344	151.2
[M-H]-	204.10300	146.7
[M+Na-2H]-	226.08495	150.7
[M]+	205.10973	146.9
[M]-	205.11083	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe