CID 11110

Lodal

Structural Information

Molecular Formula

C₁₂H₁₆NO₂

SMILES

C[N+]1=CC2=CC(=C(C=C2CC1)OC)OC

InChI

InChI=1S/C12H16NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-8H,4-5H2,1-3H3/q+1

InChIKey

AWOUIWVQSFMVNU-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 41
Patents: 206.1181 Da
Monoisotopic Mass: 1.2
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]+	207.12538	145.6
[M+Na]+	229.10732	154.7
[M-H]-	205.11082	149.4
[M+NH4]+	224.15192	164.7
[M+K]+	245.08126	147.0
[M+H-H2O]+	189.11536	141.5
[M+HCOO]-	251.11630	166.4
[M+CH3COO]-	265.13195	181.6
[M+Na-2H]-	227.09277	154.6
[M]+	206.11755	147.2
[M]-	206.11865	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe