CID 313100

3,3-dimethyl-1,3-dihydro-indol-2-one

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CC1(C2=CC=CC=C2NC1=O)C

InChI

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

InChIKey

KEZHRKOVLKUYCQ-UHFFFAOYSA-N

Compound name

3,3-dimethyl-1H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1477
Patents: 161.08406 Da
Monoisotopic Mass: 1.7
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]+	162.091336	132.6
[M+Na]+	184.073278	142.7
[M-H]-	160.076784	135.1
[M+NH4]+	179.117883	156.7
[M+K]+	200.047218	139.2
[M+H-H2O]+	144.081320	127.6
[M+HCOO]-	206.082261	153.8
[M+CH3COO]-	220.097911	175.0
[M+Na-2H]-	182.058726	139.2
[M]+	161.08351142	131.4
[M]-	161.08460858	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe