CID 22178

Nsc 36394

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CC1CC2=CC(=C(C=C2C=N1)OC)OC

InChI

InChI=1S/C12H15NO2/c1-8-4-9-5-11(14-2)12(15-3)6-10(9)7-13-8/h5-8H,4H2,1-3H3

InChIKey

JPRGVFYGQHOMSM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 205.11028 Da
Monoisotopic Mass: 1.7
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