CID 10583876

5-methoxy-3,3-dimethylisoindolin-1-one

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CC1(C2=C(C=CC(=C2)OC)C(=O)N1)C

InChI

InChI=1S/C11H13NO2/c1-11(2)9-6-7(14-3)4-5-8(9)10(13)12-11/h4-6H,1-3H3,(H,12,13)

InChIKey

ZLMBGBZUFNKJRJ-UHFFFAOYSA-N

Compound name

5-methoxy-3,3-dimethyl-2H-isoindol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
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	140.9
[M+Na]+	214.08386	153.1
[M+NH4]+	209.12846	150.6
[M+K]+	230.05780	146.9
[M-H]-	190.08736	141.8
[M+Na-2H]-	212.06931	146.6
[M]+	191.09409	142.9
[M]-	191.09519	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe