CID 27694

O-methylcorypalline

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CN1CCC2=CC(=C(C=C2C1)OC)OC

InChI

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

InChIKey

TXPPKWZEHFNZOE-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 181
Patents: 207.12593 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]+	208.13321	145.5
[M+Na]+	230.11515	159.1
[M+NH4]+	225.15975	154.6
[M+K]+	246.08909	151.9
[M-H]-	206.11865	148.0
[M+Na-2H]-	228.10060	151.3
[M]+	207.12538	148.2
[M]-	207.12648	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe