CID 338030

5488-36-8

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CC1(C2=CC=CC=C2C(=O)NC1=O)C

InChI

InChI=1S/C11H11NO2/c1-11(2)8-6-4-3-5-7(8)9(13)12-10(11)14/h3-6H,1-2H3,(H,12,13,14)

InChIKey

VSRVOIDBBCKMTM-UHFFFAOYSA-N

Compound name

4,4-dimethylisoquinoline-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 189.07898 Da
Monoisotopic Mass: 1.6
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]+	190.08626	140.1
[M+Na]+	212.06820	153.5
[M+NH4]+	207.11280	149.9
[M+K]+	228.04214	145.1
[M-H]-	188.07170	141.6
[M+Na-2H]-	210.05365	146.9
[M]+	189.07843	142.5
[M]-	189.07953	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe