CID 368242

1,3-dimethyl-3-hydroxyoxindole

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CC1(C2=CC=CC=C2N(C1=O)C)O

InChI

InChI=1S/C10H11NO2/c1-10(13)7-5-3-4-6-8(7)11(2)9(10)12/h3-6,13H,1-2H3

InChIKey

KKYJEHMJKVIBOB-UHFFFAOYSA-N

Compound name

3-hydroxy-1,3-dimethylindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 177.07898 Da
Monoisotopic Mass: 0.6
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]+	178.08626	134.9
[M+Na]+	200.06820	145.9
[M-H]-	176.07170	137.9
[M+NH4]+	195.11280	158.7
[M+K]+	216.04214	142.9
[M+H-H2O]+	160.07624	130.2
[M+HCOO]-	222.07718	156.3
[M+CH3COO]-	236.09283	178.2
[M+Na-2H]-	198.05365	141.0
[M]+	177.07843	135.7
[M]-	177.07953	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe