CID 20074351

1h-isoindole, 2,3-dihydro-5,6-dimethoxy-, hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

COC1=C(C=C2CNCC2=C1)OC

InChI

InChI=1S/C10H13NO2/c1-12-9-3-7-5-11-6-8(7)4-10(9)13-2/h3-4,11H,5-6H2,1-2H3

InChIKey

WMIINIMCTOCKNL-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-2,3-dihydro-1H-isoindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 179.09464 Da
Monoisotopic Mass: 0.8
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]+	180.101916	137.2
[M+Na]+	202.083858	146.0
[M-H]-	178.087364	139.3
[M+NH4]+	197.128463	158.6
[M+K]+	218.057798	143.4
[M+H-H2O]+	162.091900	131.4
[M+HCOO]-	224.092841	158.4
[M+CH3COO]-	238.108491	178.4
[M+Na-2H]-	200.069306	142.8
[M]+	179.09409142	137.9
[M]-	179.09518858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe