CID 30058

3382-18-1

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

COC1=C(C=C2C=NCCC2=C1)OC

InChI

InChI=1S/C11H13NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-7H,3-4H2,1-2H3

InChIKey

NSLJVQUDZCZJLK-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-3,4-dihydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 414
Patents: 191.09464 Da
Monoisotopic Mass: 1.3
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]+	192.10192	139.3
[M+Na]+	214.08386	148.1
[M-H]-	190.08736	142.6
[M+NH4]+	209.12846	159.0
[M+K]+	230.05780	146.1
[M+H-H2O]+	174.09190	132.4
[M+HCOO]-	236.09284	160.8
[M+CH3COO]-	250.10849	184.1
[M+Na-2H]-	212.06931	147.4
[M]+	191.09409	141.4
[M]-	191.09519	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe