CID 22394577

290820-93-8

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CC1=CC(=C2CC(=O)NC2=C1)C

InChI

InChI=1S/C10H11NO/c1-6-3-7(2)8-5-10(12)11-9(8)4-6/h3-4H,5H2,1-2H3,(H,11,12)

InChIKey

GRDBADCLUZAZKI-UHFFFAOYSA-N

Compound name

4,6-dimethyl-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 161.08406 Da
Monoisotopic Mass: 1.5
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]+	162.09134	132.7
[M+Na]+	184.07328	142.8
[M-H]-	160.07678	135.2
[M+NH4]+	179.11788	155.1
[M+K]+	200.04722	139.1
[M+H-H2O]+	144.08132	127.5
[M+HCOO]-	206.08226	153.8
[M+CH3COO]-	220.09791	176.6
[M+Na-2H]-	182.05873	137.5
[M]+	161.08351	131.6
[M]-	161.08461	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe