CID 38296

5,7-dimethylisatin

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

CC1=CC(=C2C(=C1)C(=O)C(=O)N2)C

InChI

InChI=1S/C10H9NO2/c1-5-3-6(2)8-7(4-5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13)

InChIKey

HFZSCCJTJGWTDZ-UHFFFAOYSA-N

Compound name

5,7-dimethyl-1H-indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 139
Patents: 175.06332 Da
Monoisotopic Mass: 1.4
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]+	176.07060	135.8
[M+Na]+	198.05254	148.5
[M+NH4]+	193.09714	144.0
[M+K]+	214.02648	144.3
[M-H]-	174.05604	136.6
[M+Na-2H]-	196.03799	139.9
[M]+	175.06277	137.6
[M]-	175.06387	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe