CID 22652

6268-86-6

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: 221
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]+	206.117556	143.8
[M+Na]+	228.099498	153.1
[M-H]-	204.103004	147.4
[M+NH4]+	223.144103	163.3
[M+K]+	244.073438	150.9
[M+H-H2O]+	188.107540	137.0
[M+HCOO]-	250.108481	165.0
[M+CH3COO]-	264.124131	188.2
[M+Na-2H]-	226.084946	150.6
[M]+	205.10973142	146.7
[M]-	205.11082858	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe