CID 1201652

5-hydroxy-3,3-dimethylindolin-2-one

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

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

InChI

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

InChIKey

IVMYKLYNZCWHTC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 177.07898 Da
Monoisotopic Mass: 1.3
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]+	178.086256	135.9
[M+Na]+	200.068198	146.5
[M-H]-	176.071704	137.5
[M+NH4]+	195.112803	158.9
[M+K]+	216.042138	142.5
[M+H-H2O]+	160.076240	131.5
[M+HCOO]-	222.077181	155.7
[M+CH3COO]-	236.092831	175.7
[M+Na-2H]-	198.053646	141.5
[M]+	177.07843142	134.8
[M]-	177.07952858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe