CID 22162091

5-amino-3,3-dimethylindolin-2-one

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

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

InChI

InChI=1S/C10H12N2O/c1-10(2)7-5-6(11)3-4-8(7)12-9(10)13/h3-5H,11H2,1-2H3,(H,12,13)

InChIKey

QYJOWWRUCCAUHW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 176.09496 Da
Monoisotopic Mass: 1.0
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]+	177.10224	136.7
[M+Na]+	199.08418	148.0
[M+NH4]+	194.12878	146.5
[M+K]+	215.05812	142.2
[M-H]-	175.08768	138.2
[M+Na-2H]-	197.06963	142.5
[M]+	176.09441	138.7
[M]-	176.09551	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe